N-benzhydryl-1-methylpiperidine-3-carboxamide

C20H24N2O — CID 132650365

IUPACN-benzhydryl-1-methylpiperidine-3-carboxamide
SMILESCN1CCCC(C(=O)NC(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C20H24N2O/c1-22-14-8-13-18(15-22)20(23)21-19(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,18-19H,8,13-15H2,1H3,(H,21,23)
InChIKeyKXZHTSHYQNYVQR-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.23
Rot. Bonds4

About N-benzhydryl-1-methylpiperidine-3-carboxamide

N-benzhydryl-1-methylpiperidine-3-carboxamide (PubChem CID 132650365) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is N-benzhydryl-1-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-1-methylpiperidine-3-carboxamide
PubChem CID132650365
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC NameN-benzhydryl-1-methylpiperidine-3-carboxamide
SMILESCN1CCCC(C(=O)NC(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C20H24N2O/c1-22-14-8-13-18(15-22)20(23)21-19(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,18-19H,8,13-15H2,1H3,(H,21,23)
InChIKeyKXZHTSHYQNYVQR-UHFFFAOYSA-N
XLogP3.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-methyl-N-[(1S)-1-phenylpropyl]piperidine-3-carboxamide
CID 99970401
1-(benzenesulfonyl)-N-benzhydrylpiperidine-3-carboxamide
CID 46438239
N-benzhydryl-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 3410633
(3R)-N-benzhydryl-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 38102879
N-(1,7-diphenylheptan-4-yl)-1-methylpiperidine-3-carboxamide
CID 142138153
(3S)-N-benzhydryl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1078436
(3S)-N-benzhydryl-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 92851206
(3R)-1-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 95904024
3-[(1-methylpyrrolidine-3-carbonyl)amino]-3-phenylpropanoic acid
CID 60922108
N-[(S)-(4-methylphenyl)-phenylmethyl]cyclopentanecarboxamide
CID 8798133
(3S)-N-benzhydryl-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 38102948
N-benzhydryl-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43925897

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-1-methylpiperidine-3-carboxamide?
The IUPAC name of N-benzhydryl-1-methylpiperidine-3-carboxamide (CID 132650365) is N-benzhydryl-1-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-benzhydryl-1-methylpiperidine-3-carboxamide?
The canonical SMILES for N-benzhydryl-1-methylpiperidine-3-carboxamide is CN1CCCC(C(=O)NC(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of N-benzhydryl-1-methylpiperidine-3-carboxamide?
The InChIKey is KXZHTSHYQNYVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-22-14-8-13-18(15-22)20(23)21-19(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,18-19H,8,13-15H2,1H3,(H,21,23).
What are the key properties of N-benzhydryl-1-methylpiperidine-3-carboxamide?
N-benzhydryl-1-methylpiperidine-3-carboxamide has a molecular weight of 308.43 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-1-methylpiperidine-3-carboxamide is sourced from PubChem (CID 132650365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).