CAS 776-75-0 | 1-Benzoylpiperidine, 98% | CAS Number 776-75-0

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776-75-0 | 1-Benzoylpiperidine, 98%

CAS No: 776-75-0 Catalog No: AG003DZ4 MDL No:MFCD00023702

Product Description

Catalog Number:

AG003DZ4

Chemical Name:

1-Benzoylpiperidine, 98%

CAS Number:

776-75-0

Molecular Formula:

C12H15NO

Molecular Weight:

189.2536

MDL Number:

MFCD00023702

IUPAC Name:

phenyl(piperidin-1-yl)methanone

InChI:

InChI=1S/C12H15NO/c14-12(11-7-3-1-4-8-11)13-9-5-2-6-10-13/h1,3-4,7-8H,2,5-6,9-10H2

InChI Key:

YXTROGRGRSPWKL-UHFFFAOYSA-N

SMILES:

O=C(c1ccccc1)N1CCCCC1

EC Number:

212-280-3

UNII:

B678L9IQ0Y

Properties

Complexity:

191

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

189.115g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

189.258g/mol

Monoisotopic Mass:

189.115g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

20.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Novel spiropiperidine-based stearoyl-CoA desaturase-1 inhibitors: Identification of 1'-{6-[5-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-yl]pyridazin-3-yl}-5-(trifluoromethyl)-3,4-dihydrospiro[chromene-2,4'-piperidine].	Bioorganic & medicinal chemistry letters 20100115
Novel benzoylpiperidine-based stearoyl-CoA desaturase-1 inhibitors: Identification of 6-[4-(2-methylbenzoyl)piperidin-1-yl]pyridazine-3-carboxylic acid (2-hydroxy-2-pyridin-3-ylethyl)amide and its plasma triglyceride-lowering effects in Zucker fatty rats.	Bioorganic & medicinal chemistry letters 20100101
{[1-(Arylmethyl)piperidin-4-yl]oxy}-(trifluoromethyl)-pyridines: ketanserin analogues with insect growth regulating activity.	Chemistry & biodiversity 20080901
Structure-activity relationships of substituted N-benzyl piperidines in the GBR series: Synthesis of 4-(2-(bis(4-fluorophenyl)methoxy)ethyl)-1-(2-trifluoromethylbenzyl)piperidine, an allosteric modulator of the serotonin transporter.	Bioorganic & medicinal chemistry 20060601
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Inhibitors of the glycine transporter type-2 (GlyT-2): synthesis and biological activity of benzoylpiperidine derivatives.	Bioorganic & medicinal chemistry 20040815