(3S)-N-benzhydryl-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide

C26H27ClN2O — CID 92851206

IUPAC(3S)-N-benzhydryl-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C26H27ClN2O/c27-24-15-13-20(14-16-24)18-29-17-7-12-23(19-29)26(30)28-25(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-11,13-16,23,25H,7,12,17-19H2,(H,28,30)/t23-/m0/s1
InChIKeyHRYVSDWFCQECLV-QHCPKHFHSA-N
MW418.97 g/mol
LogP5.46
Rot. Bonds6

About (3S)-N-benzhydryl-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide

(3S)-N-benzhydryl-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 92851206) has the molecular formula C26H27ClN2O and a molecular weight of 418.97 g/mol. Its IUPAC name is (3S)-N-benzhydryl-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-benzhydryl-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
PubChem CID92851206
Molecular FormulaC26H27ClN2O
Molecular Weight418.97 g/mol
Exact Mass418.18
IUPAC Name(3S)-N-benzhydryl-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C26H27ClN2O/c27-24-15-13-20(14-16-24)18-29-17-7-12-23(19-29)26(30)28-25(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-11,13-16,23,25H,7,12,17-19H2,(H,28,30)/t23-/m0/s1
InChIKeyHRYVSDWFCQECLV-QHCPKHFHSA-N
XLogP5.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.97
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-benzhydryl-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 38102948
(3R)-N-benzhydryl-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 38102879
N-benzhydryl-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
CID 45016872
N-benzhydryl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43925892
N-[1-(4-chlorophenyl)ethyl]-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 133159220
N-benzhydryl-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43925897
(3R)-1-[(4-chlorophenyl)methyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 94008875
(3S)-N-(2-chlorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 93490504
(3R)-1-benzyl-N-propan-2-ylpiperidine-3-carboxamide
CID 93490052
N-benzhydryl-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 3410633
1-[(4-chlorophenyl)methyl]-N-(2-phenylsulfanylethyl)piperidine-3-carboxamide
CID 43920628
N-(2-aminoethyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916653

Frequently Asked Questions

What is the IUPAC name of (3S)-N-benzhydryl-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-benzhydryl-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide (CID 92851206) is (3S)-N-benzhydryl-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-benzhydryl-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-benzhydryl-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide is O=C(NC(c1ccccc1)c1ccccc1)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1.
What is the InChIKey of (3S)-N-benzhydryl-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is HRYVSDWFCQECLV-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H27ClN2O/c27-24-15-13-20(14-16-24)18-29-17-7-12-23(19-29)26(30)28-25(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-11,13-16,23,25H,7,12,17-19H2,(H,28,30)/t23-/m0/s1.
What are the key properties of (3S)-N-benzhydryl-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide?
(3S)-N-benzhydryl-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 418.97 g/mol, XLogP of 5.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-benzhydryl-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 92851206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).