(2S,4S)-N-(2-benzylphenyl)-2-methylpiperidine-4-carboxamide

C20H24N2O — CID 120616695

IUPAC(2S,4S)-N-(2-benzylphenyl)-2-methylpiperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)Nc2ccccc2Cc2ccccc2)CCN1
InChIInChI=1S/C20H24N2O/c1-15-13-18(11-12-21-15)20(23)22-19-10-6-5-9-17(19)14-16-7-3-2-4-8-16/h2-10,15,18,21H,11-14H2,1H3,(H,22,23)/t15-,18-/m0/s1
InChIKeyPGLXZEBPFAMQKM-YJBOKZPZSA-N
MW308.43 g/mol
LogP3.60
Rot. Bonds4

About (2S,4S)-N-(2-benzylphenyl)-2-methylpiperidine-4-carboxamide

(2S,4S)-N-(2-benzylphenyl)-2-methylpiperidine-4-carboxamide (PubChem CID 120616695) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is (2S,4S)-N-(2-benzylphenyl)-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-(2-benzylphenyl)-2-methylpiperidine-4-carboxamide
PubChem CID120616695
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name(2S,4S)-N-(2-benzylphenyl)-2-methylpiperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)Nc2ccccc2Cc2ccccc2)CCN1
InChIInChI=1S/C20H24N2O/c1-15-13-18(11-12-21-15)20(23)22-19-10-6-5-9-17(19)14-16-7-3-2-4-8-16/h2-10,15,18,21H,11-14H2,1H3,(H,22,23)/t15-,18-/m0/s1
InChIKeyPGLXZEBPFAMQKM-YJBOKZPZSA-N
XLogP3.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4S)-N-[2-(methoxymethyl)phenyl]-2-methylpiperidine-4-carboxamide
CID 120622248
(2S,4S)-N-(2-hydroxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631829
(2S,4S)-2-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide
CID 120644853
(2S,4S)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-2-methylpiperidine-4-carboxamide;dihydrochloride
CID 120642921
(2S,4S)-N-benzyl-2-methylpiperidine-4-carboxamide
CID 120616011
N-benzyl-2-methylpiperidine-4-carboxamide
CID 106738530
(2S,4S)-N-(3-benzamido-2-methylphenyl)-2-methylpiperidine-4-carboxamide
CID 120624536
N-(4-bromo-2-ethylphenyl)-2-methylpiperidine-4-carboxamide
CID 106740388
(2S,4S)-2-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-4-carboxamide
CID 120620303
(2S,4S)-N-[2-[(dimethylamino)methyl]-4-methylphenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120636792
(2S,4S)-N-[2-(tert-butylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620334
(2S,4S)-N-(3-fluoro-2-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620625

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-(2-benzylphenyl)-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-(2-benzylphenyl)-2-methylpiperidine-4-carboxamide (CID 120616695) is (2S,4S)-N-(2-benzylphenyl)-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-(2-benzylphenyl)-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-(2-benzylphenyl)-2-methylpiperidine-4-carboxamide is C[C@H]1C[C@@H](C(=O)Nc2ccccc2Cc2ccccc2)CCN1.
What is the InChIKey of (2S,4S)-N-(2-benzylphenyl)-2-methylpiperidine-4-carboxamide?
The InChIKey is PGLXZEBPFAMQKM-YJBOKZPZSA-N. The full InChI is InChI=1S/C20H24N2O/c1-15-13-18(11-12-21-15)20(23)22-19-10-6-5-9-17(19)14-16-7-3-2-4-8-16/h2-10,15,18,21H,11-14H2,1H3,(H,22,23)/t15-,18-/m0/s1.
What are the key properties of (2S,4S)-N-(2-benzylphenyl)-2-methylpiperidine-4-carboxamide?
(2S,4S)-N-(2-benzylphenyl)-2-methylpiperidine-4-carboxamide has a molecular weight of 308.43 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-(2-benzylphenyl)-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120616695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).