(2S,4R)-2-methyl-N-[3-[(4-methylcyclohexanecarbonyl)amino]phenyl]-6-oxopiperidine-4-carboxamide

C21H29N3O3 — CID 166375292

IUPAC(2S,4R)-2-methyl-N-[3-[(4-methylcyclohexanecarbonyl)amino]phenyl]-6-oxopiperidine-4-carboxamide
SMILESCC1CCC(C(=O)Nc2cccc(NC(=O)[C@H]3CC(=O)N[C@@H](C)C3)c2)CC1
InChIInChI=1S/C21H29N3O3/c1-13-6-8-15(9-7-13)20(26)23-17-4-3-5-18(12-17)24-21(27)16-10-14(2)22-19(25)11-16/h3-5,12-16H,6-11H2,1-2H3,(H,22,25)(H,23,26)(H,24,27)/t13?,14-,15?,16+/m0/s1
InChIKeyLQAVKQWCNFGYTG-BHDPWAOGSA-N
MW371.48 g/mol
LogP3.30
Rot. Bonds4

About (2S,4R)-2-methyl-N-[3-[(4-methylcyclohexanecarbonyl)amino]phenyl]-6-oxopiperidine-4-carboxamide

(2S,4R)-2-methyl-N-[3-[(4-methylcyclohexanecarbonyl)amino]phenyl]-6-oxopiperidine-4-carboxamide (PubChem CID 166375292) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is (2S,4R)-2-methyl-N-[3-[(4-methylcyclohexanecarbonyl)amino]phenyl]-6-oxopiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4R)-2-methyl-N-[3-[(4-methylcyclohexanecarbonyl)amino]phenyl]-6-oxopiperidine-4-carboxamide
PubChem CID166375292
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name(2S,4R)-2-methyl-N-[3-[(4-methylcyclohexanecarbonyl)amino]phenyl]-6-oxopiperidine-4-carboxamide
SMILESCC1CCC(C(=O)Nc2cccc(NC(=O)[C@H]3CC(=O)N[C@@H](C)C3)c2)CC1
InChIInChI=1S/C21H29N3O3/c1-13-6-8-15(9-7-13)20(26)23-17-4-3-5-18(12-17)24-21(27)16-10-14(2)22-19(25)11-16/h3-5,12-16H,6-11H2,1-2H3,(H,22,25)(H,23,26)(H,24,27)/t13?,14-,15?,16+/m0/s1
InChIKeyLQAVKQWCNFGYTG-BHDPWAOGSA-N
XLogP3.30
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S,4R)-2-methyl-N-[3-[(4-methylcyclohexanecarbonyl)amino]phenyl]-6-oxopiperidine-4-carboxamide with MolForge

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Related Compounds

N-(3-hydroxyphenyl)-4-methylcyclohexane-1-carboxamide
CID 113287962
(2S,4S)-N-(3-acetamidophenyl)-2-methylpiperidine-4-carboxamide
CID 120616198
N-[3-[(2,5-dimethylcyclohexyl)amino]phenyl]cyclopropanecarboxamide
CID 64773730
(2S,4S)-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120619530
(2S,4S)-N-(3-iodophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616575
N-[3-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]cyclopropanecarboxamide
CID 110715371
N-[3-(butanoylamino)phenyl]cyclopropanecarboxamide
CID 17187554
4-methyl-N-naphthalen-2-ylcyclohexane-1-carboxamide
CID 775974
4-fluoro-N-[3-[(4-fluorocyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide
CID 171577056
(2S,4S)-N-[3-(ethylcarbamoylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120626462
N-[3-(2,2-dimethylpropanoylamino)phenyl]cyclopropanecarboxamide
CID 17204538
N-(4-anilinophenyl)-4-methylcyclohexane-1-carboxamide
CID 110178754

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-methyl-N-[3-[(4-methylcyclohexanecarbonyl)amino]phenyl]-6-oxopiperidine-4-carboxamide?
The IUPAC name of (2S,4R)-2-methyl-N-[3-[(4-methylcyclohexanecarbonyl)amino]phenyl]-6-oxopiperidine-4-carboxamide (CID 166375292) is (2S,4R)-2-methyl-N-[3-[(4-methylcyclohexanecarbonyl)amino]phenyl]-6-oxopiperidine-4-carboxamide.
What is the SMILES notation for (2S,4R)-2-methyl-N-[3-[(4-methylcyclohexanecarbonyl)amino]phenyl]-6-oxopiperidine-4-carboxamide?
The canonical SMILES for (2S,4R)-2-methyl-N-[3-[(4-methylcyclohexanecarbonyl)amino]phenyl]-6-oxopiperidine-4-carboxamide is CC1CCC(C(=O)Nc2cccc(NC(=O)[C@H]3CC(=O)N[C@@H](C)C3)c2)CC1.
What is the InChIKey of (2S,4R)-2-methyl-N-[3-[(4-methylcyclohexanecarbonyl)amino]phenyl]-6-oxopiperidine-4-carboxamide?
The InChIKey is LQAVKQWCNFGYTG-BHDPWAOGSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-13-6-8-15(9-7-13)20(26)23-17-4-3-5-18(12-17)24-21(27)16-10-14(2)22-19(25)11-16/h3-5,12-16H,6-11H2,1-2H3,(H,22,25)(H,23,26)(H,24,27)/t13?,14-,15?,16+/m0/s1.
What are the key properties of (2S,4R)-2-methyl-N-[3-[(4-methylcyclohexanecarbonyl)amino]phenyl]-6-oxopiperidine-4-carboxamide?
(2S,4R)-2-methyl-N-[3-[(4-methylcyclohexanecarbonyl)amino]phenyl]-6-oxopiperidine-4-carboxamide has a molecular weight of 371.48 g/mol, XLogP of 3.30, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-methyl-N-[3-[(4-methylcyclohexanecarbonyl)amino]phenyl]-6-oxopiperidine-4-carboxamide is sourced from PubChem (CID 166375292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).