(2R)-N-[4-[(2-methylbenzoyl)amino]cyclohexyl]-6-oxopiperidine-2-carboxamide

C20H27N3O3 — CID 146147876

IUPAC(2R)-N-[4-[(2-methylbenzoyl)amino]cyclohexyl]-6-oxopiperidine-2-carboxamide
SMILESCc1ccccc1C(=O)NC1CCC(NC(=O)[C@H]2CCCC(=O)N2)CC1
InChIInChI=1S/C20H27N3O3/c1-13-5-2-3-6-16(13)19(25)21-14-9-11-15(12-10-14)22-20(26)17-7-4-8-18(24)23-17/h2-3,5-6,14-15,17H,4,7-12H2,1H3,(H,21,25)(H,22,26)(H,23,24)/t14?,15?,17-/m1/s1
InChIKeyPTQOMLNHRNGUCJ-VMBOVVBDSA-N
MW357.45 g/mol
LogP1.82
Rot. Bonds4

About (2R)-N-[4-[(2-methylbenzoyl)amino]cyclohexyl]-6-oxopiperidine-2-carboxamide

(2R)-N-[4-[(2-methylbenzoyl)amino]cyclohexyl]-6-oxopiperidine-2-carboxamide (PubChem CID 146147876) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is (2R)-N-[4-[(2-methylbenzoyl)amino]cyclohexyl]-6-oxopiperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[4-[(2-methylbenzoyl)amino]cyclohexyl]-6-oxopiperidine-2-carboxamide
PubChem CID146147876
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name(2R)-N-[4-[(2-methylbenzoyl)amino]cyclohexyl]-6-oxopiperidine-2-carboxamide
SMILESCc1ccccc1C(=O)NC1CCC(NC(=O)[C@H]2CCCC(=O)N2)CC1
InChIInChI=1S/C20H27N3O3/c1-13-5-2-3-6-16(13)19(25)21-14-9-11-15(12-10-14)22-20(26)17-7-4-8-18(24)23-17/h2-3,5-6,14-15,17H,4,7-12H2,1H3,(H,21,25)(H,22,26)(H,23,24)/t14?,15?,17-/m1/s1
InChIKeyPTQOMLNHRNGUCJ-VMBOVVBDSA-N
XLogP1.82
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-methylbenzamide;hydrochloride
CID 162767207
N-(4-aminocyclohexyl)-2-methylbenzamide
CID 43653114
2-methyl-N-[(3R)-6-oxopiperidin-3-yl]benzamide
CID 70955192
4-[(2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 60808371
2-methyl-N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]benzamide;hydrochloride
CID 119288335
N-cyclopentyl-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
CID 110822504
2-methyl-N-[(1S,2S)-2-[(2-methylbenzoyl)amino]cyclohexyl]benzamide
CID 979091
N-[4-(methylamino)cyclohexyl]-5-oxopyrrolidine-2-carboxamide
CID 79110439
N-[(1S,3S)-3-hydroxycyclohexyl]-2-methylbenzamide
CID 95983826
N-(1-cyclopropylpiperidin-4-yl)-2-methylbenzamide
CID 39974888
(2R)-N-(4-methylcyclohexyl)-5-oxopyrrolidine-2-carboxamide
CID 127296472
N,N-dimethyl-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
CID 108562715

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-[(2-methylbenzoyl)amino]cyclohexyl]-6-oxopiperidine-2-carboxamide?
The IUPAC name of (2R)-N-[4-[(2-methylbenzoyl)amino]cyclohexyl]-6-oxopiperidine-2-carboxamide (CID 146147876) is (2R)-N-[4-[(2-methylbenzoyl)amino]cyclohexyl]-6-oxopiperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[4-[(2-methylbenzoyl)amino]cyclohexyl]-6-oxopiperidine-2-carboxamide?
The canonical SMILES for (2R)-N-[4-[(2-methylbenzoyl)amino]cyclohexyl]-6-oxopiperidine-2-carboxamide is Cc1ccccc1C(=O)NC1CCC(NC(=O)[C@H]2CCCC(=O)N2)CC1.
What is the InChIKey of (2R)-N-[4-[(2-methylbenzoyl)amino]cyclohexyl]-6-oxopiperidine-2-carboxamide?
The InChIKey is PTQOMLNHRNGUCJ-VMBOVVBDSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-13-5-2-3-6-16(13)19(25)21-14-9-11-15(12-10-14)22-20(26)17-7-4-8-18(24)23-17/h2-3,5-6,14-15,17H,4,7-12H2,1H3,(H,21,25)(H,22,26)(H,23,24)/t14?,15?,17-/m1/s1.
What are the key properties of (2R)-N-[4-[(2-methylbenzoyl)amino]cyclohexyl]-6-oxopiperidine-2-carboxamide?
(2R)-N-[4-[(2-methylbenzoyl)amino]cyclohexyl]-6-oxopiperidine-2-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 1.82, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-[(2-methylbenzoyl)amino]cyclohexyl]-6-oxopiperidine-2-carboxamide is sourced from PubChem (CID 146147876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).