(2S,4S)-N-(3-benzamido-2-methylphenyl)-2-methylpiperidine-4-carboxamide

C21H25N3O2 — CID 120624536

IUPAC(2S,4S)-N-(3-benzamido-2-methylphenyl)-2-methylpiperidine-4-carboxamide
SMILESCc1c(NC(=O)c2ccccc2)cccc1NC(=O)[C@H]1CCN[C@@H](C)C1
InChIInChI=1S/C21H25N3O2/c1-14-13-17(11-12-22-14)21(26)24-19-10-6-9-18(15(19)2)23-20(25)16-7-4-3-5-8-16/h3-10,14,17,22H,11-13H2,1-2H3,(H,23,25)(H,24,26)/t14-,17-/m0/s1
InChIKeyPBVHROFYYJDBGX-YOEHRIQHSA-N
MW351.45 g/mol
LogP3.57
Rot. Bonds4

About (2S,4S)-N-(3-benzamido-2-methylphenyl)-2-methylpiperidine-4-carboxamide

(2S,4S)-N-(3-benzamido-2-methylphenyl)-2-methylpiperidine-4-carboxamide (PubChem CID 120624536) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is (2S,4S)-N-(3-benzamido-2-methylphenyl)-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-(3-benzamido-2-methylphenyl)-2-methylpiperidine-4-carboxamide
PubChem CID120624536
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name(2S,4S)-N-(3-benzamido-2-methylphenyl)-2-methylpiperidine-4-carboxamide
SMILESCc1c(NC(=O)c2ccccc2)cccc1NC(=O)[C@H]1CCN[C@@H](C)C1
InChIInChI=1S/C21H25N3O2/c1-14-13-17(11-12-22-14)21(26)24-19-10-6-9-18(15(19)2)23-20(25)16-7-4-3-5-8-16/h3-10,14,17,22H,11-13H2,1-2H3,(H,23,25)(H,24,26)/t14-,17-/m0/s1
InChIKeyPBVHROFYYJDBGX-YOEHRIQHSA-N
XLogP3.57
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-N-(4-benzamido-2,5-dimethoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120617088
(2S,4S)-N-(3-benzamidophenyl)-2-methylpiperidine-4-carboxamide
CID 120620603
(2S,4S)-N-(3-fluoro-2-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620625
(2S,4S)-2-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 120620558
(2S,4S)-N-(2-hydroxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631829
(2S,4S)-2-methyl-N-[2-methyl-5-(phenylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 120620900
(2S,4S)-N-(2-benzylphenyl)-2-methylpiperidine-4-carboxamide
CID 120616695
(2S,4S)-N-[2-(tert-butylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620334
N-[3-[(2-hydroxycyclopentanecarbonyl)amino]-2-methylphenyl]benzamide
CID 110015368
(2S,4S)-N-[1-(3-benzamidophenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620755
(2S,4S)-2-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-4-carboxamide
CID 120620303
(2S,4S)-N-[2-(methoxymethyl)phenyl]-2-methylpiperidine-4-carboxamide
CID 120622248

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-(3-benzamido-2-methylphenyl)-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-(3-benzamido-2-methylphenyl)-2-methylpiperidine-4-carboxamide (CID 120624536) is (2S,4S)-N-(3-benzamido-2-methylphenyl)-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-(3-benzamido-2-methylphenyl)-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-(3-benzamido-2-methylphenyl)-2-methylpiperidine-4-carboxamide is Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)[C@H]1CCN[C@@H](C)C1.
What is the InChIKey of (2S,4S)-N-(3-benzamido-2-methylphenyl)-2-methylpiperidine-4-carboxamide?
The InChIKey is PBVHROFYYJDBGX-YOEHRIQHSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-14-13-17(11-12-22-14)21(26)24-19-10-6-9-18(15(19)2)23-20(25)16-7-4-3-5-8-16/h3-10,14,17,22H,11-13H2,1-2H3,(H,23,25)(H,24,26)/t14-,17-/m0/s1.
What are the key properties of (2S,4S)-N-(3-benzamido-2-methylphenyl)-2-methylpiperidine-4-carboxamide?
(2S,4S)-N-(3-benzamido-2-methylphenyl)-2-methylpiperidine-4-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 3.57, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-(3-benzamido-2-methylphenyl)-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120624536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).