(2S,4S)-2-methyl-N-[2-methyl-5-(phenylcarbamoyl)phenyl]piperidine-4-carboxamide

C21H25N3O2 — CID 120620900

IUPAC(2S,4S)-2-methyl-N-[2-methyl-5-(phenylcarbamoyl)phenyl]piperidine-4-carboxamide
SMILESCc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)[C@H]1CCN[C@@H](C)C1
InChIInChI=1S/C21H25N3O2/c1-14-8-9-16(20(25)23-18-6-4-3-5-7-18)13-19(14)24-21(26)17-10-11-22-15(2)12-17/h3-9,13,15,17,22H,10-12H2,1-2H3,(H,23,25)(H,24,26)/t15-,17-/m0/s1
InChIKeyXOQWXCHDSCUZRQ-RDJZCZTQSA-N
MW351.45 g/mol
LogP3.57
Rot. Bonds4

About (2S,4S)-2-methyl-N-[2-methyl-5-(phenylcarbamoyl)phenyl]piperidine-4-carboxamide

(2S,4S)-2-methyl-N-[2-methyl-5-(phenylcarbamoyl)phenyl]piperidine-4-carboxamide (PubChem CID 120620900) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-[2-methyl-5-(phenylcarbamoyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-[2-methyl-5-(phenylcarbamoyl)phenyl]piperidine-4-carboxamide
PubChem CID120620900
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name(2S,4S)-2-methyl-N-[2-methyl-5-(phenylcarbamoyl)phenyl]piperidine-4-carboxamide
SMILESCc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)[C@H]1CCN[C@@H](C)C1
InChIInChI=1S/C21H25N3O2/c1-14-8-9-16(20(25)23-18-6-4-3-5-7-18)13-19(14)24-21(26)17-10-11-22-15(2)12-17/h3-9,13,15,17,22H,10-12H2,1-2H3,(H,23,25)(H,24,26)/t15-,17-/m0/s1
InChIKeyXOQWXCHDSCUZRQ-RDJZCZTQSA-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

3-[(3-aminocyclohexanecarbonyl)amino]-4-methyl-N-phenylbenzamide
CID 119712024
methyl 4-methyl-3-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]benzoate;hydrochloride
CID 120616964
(2S,4S)-N-(3-benzamidophenyl)-2-methylpiperidine-4-carboxamide
CID 120620603
(2S,4S)-N-(2,5-dimethylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120615925
(2S,4S)-N-(3-benzamido-2-methylphenyl)-2-methylpiperidine-4-carboxamide
CID 120624536
(2S,4S)-N-(3-acetamido-4-methylphenyl)-2-methylpiperidine-4-carboxamide
CID 120620818
(2S,4S)-N-(3-acetamido-4-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620817
2-methyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide
CID 106739038
(2S,4S)-2-methyl-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120634574
(2S,4S)-N-[4-chloro-3-(phenylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide
CID 120633632
(2S,4S)-N-(4-benzamido-2,5-dimethoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120617088
(2S,4S)-N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide
CID 120619355

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-[2-methyl-5-(phenylcarbamoyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of (2S,4S)-2-methyl-N-[2-methyl-5-(phenylcarbamoyl)phenyl]piperidine-4-carboxamide (CID 120620900) is (2S,4S)-2-methyl-N-[2-methyl-5-(phenylcarbamoyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-2-methyl-N-[2-methyl-5-(phenylcarbamoyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-2-methyl-N-[2-methyl-5-(phenylcarbamoyl)phenyl]piperidine-4-carboxamide is Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)[C@H]1CCN[C@@H](C)C1.
What is the InChIKey of (2S,4S)-2-methyl-N-[2-methyl-5-(phenylcarbamoyl)phenyl]piperidine-4-carboxamide?
The InChIKey is XOQWXCHDSCUZRQ-RDJZCZTQSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-14-8-9-16(20(25)23-18-6-4-3-5-7-18)13-19(14)24-21(26)17-10-11-22-15(2)12-17/h3-9,13,15,17,22H,10-12H2,1-2H3,(H,23,25)(H,24,26)/t15-,17-/m0/s1.
What are the key properties of (2S,4S)-2-methyl-N-[2-methyl-5-(phenylcarbamoyl)phenyl]piperidine-4-carboxamide?
(2S,4S)-2-methyl-N-[2-methyl-5-(phenylcarbamoyl)phenyl]piperidine-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)-2-methyl-N-[2-methyl-5-(phenylcarbamoyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 120620900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).