N-cyclohexyl-1-(3-methylbenzoyl)piperidine-3-carboxamide

C20H28N2O2 — CID 50803988

IUPACN-cyclohexyl-1-(3-methylbenzoyl)piperidine-3-carboxamide
SMILESCc1cccc(C(=O)N2CCCC(C(=O)NC3CCCCC3)C2)c1
InChIInChI=1S/C20H28N2O2/c1-15-7-5-8-16(13-15)20(24)22-12-6-9-17(14-22)19(23)21-18-10-3-2-4-11-18/h5,7-8,13,17-18H,2-4,6,9-12,14H2,1H3,(H,21,23)
InChIKeyMJDRMJJMEMRMFY-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.30
Rot. Bonds3

About N-cyclohexyl-1-(3-methylbenzoyl)piperidine-3-carboxamide

N-cyclohexyl-1-(3-methylbenzoyl)piperidine-3-carboxamide (PubChem CID 50803988) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-cyclohexyl-1-(3-methylbenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-(3-methylbenzoyl)piperidine-3-carboxamide
PubChem CID50803988
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC NameN-cyclohexyl-1-(3-methylbenzoyl)piperidine-3-carboxamide
SMILESCc1cccc(C(=O)N2CCCC(C(=O)NC3CCCCC3)C2)c1
InChIInChI=1S/C20H28N2O2/c1-15-7-5-8-16(13-15)20(24)22-12-6-9-17(14-22)19(23)21-18-10-3-2-4-11-18/h5,7-8,13,17-18H,2-4,6,9-12,14H2,1H3,(H,21,23)
InChIKeyMJDRMJJMEMRMFY-UHFFFAOYSA-N
XLogP3.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-cyclooctyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082784
N-[1-(3-methylbenzoyl)piperidin-4-yl]cyclopentanecarboxamide
CID 110820278
[(3S)-3-(methylamino)piperidin-1-yl]-(3-methylphenyl)methanone
CID 94475796
(3R)-1-(3-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257324
N-cyclopentyl-1-[3-[(2,4-dimethylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
CID 50830202
N-cyclopentyl-1-[3-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide
CID 50829342
N-cyclopentyl-4-(3-methylbenzoyl)-1,4-diazepane-1-carboxamide
CID 38217781
(3R)-N-(3-fluorophenyl)-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 94082579
1-[3-(benzenesulfonamido)benzoyl]-N-cycloheptylpiperidine-3-carboxamide
CID 46387322
(3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113385
(3S)-N-(4-ethylphenyl)-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 94082527
(3R)-N-cyclopentyl-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 25392682

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(3-methylbenzoyl)piperidine-3-carboxamide?
The IUPAC name of N-cyclohexyl-1-(3-methylbenzoyl)piperidine-3-carboxamide (CID 50803988) is N-cyclohexyl-1-(3-methylbenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-(3-methylbenzoyl)piperidine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-1-(3-methylbenzoyl)piperidine-3-carboxamide is Cc1cccc(C(=O)N2CCCC(C(=O)NC3CCCCC3)C2)c1.
What is the InChIKey of N-cyclohexyl-1-(3-methylbenzoyl)piperidine-3-carboxamide?
The InChIKey is MJDRMJJMEMRMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-15-7-5-8-16(13-15)20(24)22-12-6-9-17(14-22)19(23)21-18-10-3-2-4-11-18/h5,7-8,13,17-18H,2-4,6,9-12,14H2,1H3,(H,21,23).
What are the key properties of N-cyclohexyl-1-(3-methylbenzoyl)piperidine-3-carboxamide?
N-cyclohexyl-1-(3-methylbenzoyl)piperidine-3-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(3-methylbenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 50803988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).