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

C26H27ClN2O — CID 45016872

IUPACN-benzhydryl-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)C1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C26H27ClN2O/c27-24-13-11-20(12-14-24)19-29-17-15-23(16-18-29)26(30)28-25(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,23,25H,15-19H2,(H,28,30)
InChIKeyGQGWROOPMXUFFF-UHFFFAOYSA-N
MW418.97 g/mol
LogP5.46
Rot. Bonds6

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

N-benzhydryl-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide (PubChem CID 45016872) has the molecular formula C26H27ClN2O and a molecular weight of 418.97 g/mol. Its IUPAC name is N-benzhydryl-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
PubChem CID45016872
Molecular FormulaC26H27ClN2O
Molecular Weight418.97 g/mol
Exact Mass418.18
IUPAC NameN-benzhydryl-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)C1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C26H27ClN2O/c27-24-13-11-20(12-14-24)19-29-17-15-23(16-18-29)26(30)28-25(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,23,25H,15-19H2,(H,28,30)
InChIKeyGQGWROOPMXUFFF-UHFFFAOYSA-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

1-[(4-chlorophenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 2187102
(3S)-N-benzhydryl-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 92851206
1-[(4-chlorophenyl)methyl]-N-[(1R)-3-methyl-1-phenylbutyl]piperidine-4-carboxamide
CID 94025097
2-[(1-benzylpiperidine-4-carbonyl)amino]-2-phenylacetic acid
CID 119197415
1-[(3-chlorophenyl)methyl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 1343521
(3S)-N-benzhydryl-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 38102948
N-benzhydryl-1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43928399
3-[(1-benzylpiperidine-4-carbonyl)amino]-2-methyl-3-phenylpropanoic acid
CID 119219104
1-[(4-methoxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 51361840
N-[(4-chlorophenyl)-(4-fluorophenyl)methyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide
CID 121427392
N-[(R)-(4-chlorophenyl)-phenylmethyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 41188239
(2R)-2-[(1-benzylpiperidine-4-carbonyl)amino]-3-phenylpropanoic acid
CID 119367273

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-benzhydryl-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide (CID 45016872) is N-benzhydryl-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-benzhydryl-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-benzhydryl-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide is O=C(NC(c1ccccc1)c1ccccc1)C1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-benzhydryl-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is GQGWROOPMXUFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN2O/c27-24-13-11-20(12-14-24)19-29-17-15-23(16-18-29)26(30)28-25(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,23,25H,15-19H2,(H,28,30).
What are the key properties of N-benzhydryl-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide?
N-benzhydryl-1-[(4-chlorophenyl)methyl]piperidine-4-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 N-benzhydryl-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 45016872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).