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878478-90-1 | 1-[4-(4-Hydroxyphenyl)-4-oxobutyl]-[1,4-bipiperidine]-4-carboxamide Hydrobromide
CAS No: 878478-90-1 Catalog No: AG003CRQ MDL No:
Product Description
Catalog Number:
AG003CRQ
Chemical Name:
1-[4-(4-Hydroxyphenyl)-4-oxobutyl]-[1,4-bipiperidine]-4-carboxamide Hydrobromide
CAS Number:
878478-90-1
Molecular Formula:
C21H32BrN3O3
Molecular Weight:
454.4011
IUPAC Name:
1-[4-(4-hydroxyphenyl)-4-oxobutyl]-4-piperidin-1-ylpiperidine-4-carboxamide
InChI:
InChI=1S/C21H31N3O3/c22-20(27)21(24-13-2-1-3-14-24)10-15-23(16-11-21)12-4-5-19(26)17-6-8-18(25)9-7-17/h6-9,25H,1-5,10-16H2,(H2,22,27)
InChI Key:
FHRPDBXVHGLKSH-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)O)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N.Br
Properties
Complexity:
503
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.237g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
373.497g/mol
Monoisotopic Mass:
373.237g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
86.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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