N-benzhydryl-1-(4-chlorobenzoyl)piperidine-3-carboxamide

C26H25ClN2O2 — CID 3410633

IUPACN-benzhydryl-1-(4-chlorobenzoyl)piperidine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)C1CCCN(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C26H25ClN2O2/c27-23-15-13-21(14-16-23)26(31)29-17-7-12-22(18-29)25(30)28-24(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-6,8-11,13-16,22,24H,7,12,17-18H2,(H,28,30)
InChIKeyMAPWYVCDDIKJPQ-UHFFFAOYSA-N
MW432.95 g/mol
LogP5.10
Rot. Bonds5

About N-benzhydryl-1-(4-chlorobenzoyl)piperidine-3-carboxamide

N-benzhydryl-1-(4-chlorobenzoyl)piperidine-3-carboxamide (PubChem CID 3410633) has the molecular formula C26H25ClN2O2 and a molecular weight of 432.95 g/mol. Its IUPAC name is N-benzhydryl-1-(4-chlorobenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-1-(4-chlorobenzoyl)piperidine-3-carboxamide
PubChem CID3410633
Molecular FormulaC26H25ClN2O2
Molecular Weight432.95 g/mol
Exact Mass432.16
IUPAC NameN-benzhydryl-1-(4-chlorobenzoyl)piperidine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)C1CCCN(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C26H25ClN2O2/c27-23-15-13-21(14-16-23)26(31)29-17-7-12-22(18-29)25(30)28-24(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-6,8-11,13-16,22,24H,7,12,17-18H2,(H,28,30)
InChIKeyMAPWYVCDDIKJPQ-UHFFFAOYSA-N
XLogP5.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.95
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-oxo-1-phenylethyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 51315265
N-(2-amino-2-phenylethyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119528013
2-[[1-(4-chlorobenzoyl)piperidine-3-carbonyl]amino]-3-methylbutanoic acid
CID 119170132
(3S)-N-benzhydryl-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 92851206
1-(4-chlorobenzoyl)-N-(1-hydroxypropan-2-yl)piperidine-3-carboxamide
CID 78856900
(3S)-1-(4-chlorobenzoyl)-N-(4-phenylphenyl)piperidine-3-carboxamide
CID 2542955
N-[1-(4-bromophenyl)ethyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 112761911
N-benzhydryl-1-methylpiperidine-3-carboxamide
CID 132650365
N-[(3-chlorophenyl)-phenylmethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55804121
(3S)-1-(4-chlorobenzoyl)-N-[(1R)-1-thiophen-2-ylethyl]piperidine-3-carboxamide
CID 31109673
1-(4-chlorobenzoyl)-N-[2-[(4-chlorobenzoyl)amino]phenyl]piperidine-3-carboxamide
CID 46439094
N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 42924134

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-1-(4-chlorobenzoyl)piperidine-3-carboxamide?
The IUPAC name of N-benzhydryl-1-(4-chlorobenzoyl)piperidine-3-carboxamide (CID 3410633) is N-benzhydryl-1-(4-chlorobenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-benzhydryl-1-(4-chlorobenzoyl)piperidine-3-carboxamide?
The canonical SMILES for N-benzhydryl-1-(4-chlorobenzoyl)piperidine-3-carboxamide is O=C(NC(c1ccccc1)c1ccccc1)C1CCCN(C(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of N-benzhydryl-1-(4-chlorobenzoyl)piperidine-3-carboxamide?
The InChIKey is MAPWYVCDDIKJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN2O2/c27-23-15-13-21(14-16-23)26(31)29-17-7-12-22(18-29)25(30)28-24(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-6,8-11,13-16,22,24H,7,12,17-18H2,(H,28,30).
What are the key properties of N-benzhydryl-1-(4-chlorobenzoyl)piperidine-3-carboxamide?
N-benzhydryl-1-(4-chlorobenzoyl)piperidine-3-carboxamide has a molecular weight of 432.95 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-1-(4-chlorobenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 3410633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).