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116512-93-7 | 1-Piperidinecarboxylic acid, 4-[(1-oxopropyl)phenylamino]-, ethyl ester
CAS No: 116512-93-7 Catalog No: AG000CNY MDL No:
Product Description
Catalog Number:
AG000CNY
Chemical Name:
1-Piperidinecarboxylic acid, 4-[(1-oxopropyl)phenylamino]-, ethyl ester
CAS Number:
116512-93-7
Molecular Formula:
C17H24N2O3
Molecular Weight:
304.3841
IUPAC Name:
ethyl 4-(N-propanoylanilino)piperidine-1-carboxylate
InChI:
InChI=1S/C17H24N2O3/c1-3-16(20)19(14-8-6-5-7-9-14)15-10-12-18(13-11-15)17(21)22-4-2/h5-9,15H,3-4,10-13H2,1-2H3
InChI Key:
JYOGTADXKSANSM-UHFFFAOYSA-N
SMILES:
CCOC(=O)N1CCC(CC1)N(c1ccccc1)C(=O)CC
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.179g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.39g/mol
Monoisotopic Mass:
304.179g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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