N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide

C24H36N4O2 — CID 56796327

IUPACN-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
SMILESCc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)N1CCCC(N2CCCC2)C1
InChIInChI=1S/C24H36N4O2/c1-18-16-19(23(29)25-20-8-3-2-4-9-20)11-12-22(18)26-24(30)28-15-7-10-21(17-28)27-13-5-6-14-27/h11-12,16,20-21H,2-10,13-15,17H2,1H3,(H,25,29)(H,26,30)
InChIKeyZHAYCRKRMZTAII-UHFFFAOYSA-N
MW412.58 g/mol
LogP4.15
Rot. Bonds4

About N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide

N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide (PubChem CID 56796327) has the molecular formula C24H36N4O2 and a molecular weight of 412.58 g/mol. Its IUPAC name is N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
PubChem CID56796327
Molecular FormulaC24H36N4O2
Molecular Weight412.58 g/mol
Exact Mass412.28
IUPAC NameN-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
SMILESCc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)N1CCCC(N2CCCC2)C1
InChIInChI=1S/C24H36N4O2/c1-18-16-19(23(29)25-20-8-3-2-4-9-20)11-12-22(18)26-24(30)28-15-7-10-21(17-28)27-13-5-6-14-27/h11-12,16,20-21H,2-10,13-15,17H2,1H3,(H,25,29)(H,26,30)
InChIKeyZHAYCRKRMZTAII-UHFFFAOYSA-N
XLogP4.15
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.58
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 48645800
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CID 47039794
(3R)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylpiperidine-1-carboxamide
CID 94161618
N-cyclopentyl-4-(cyclopropylcarbamoylamino)-3-methylbenzamide
CID 48645772
N-(1-cyclopentylpiperidin-4-yl)-3,4-dimethylbenzamide
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N-[3-(cyclopropylcarbamoyl)phenyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 154742561
N-cyclohexyl-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carboxamide
CID 49289387
N-(5-chloro-2-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 20920182
4-[(2-aminoacetyl)amino]-N-cyclohexyl-3-methylbenzamide;hydrochloride
CID 119283092
N-cyclohexyl-3-methyl-4-[[2-oxo-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]amino]benzamide
CID 60561835
3-benzamido-N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-4-methylbenzamide
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N-cycloheptyl-4-(ethylamino)-3-methylbenzamide
CID 63210563

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide?
The IUPAC name of N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide (CID 56796327) is N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide?
The canonical SMILES for N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide is Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)N1CCCC(N2CCCC2)C1.
What is the InChIKey of N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide?
The InChIKey is ZHAYCRKRMZTAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O2/c1-18-16-19(23(29)25-20-8-3-2-4-9-20)11-12-22(18)26-24(30)28-15-7-10-21(17-28)27-13-5-6-14-27/h11-12,16,20-21H,2-10,13-15,17H2,1H3,(H,25,29)(H,26,30).
What are the key properties of N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide?
N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide has a molecular weight of 412.58 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide is sourced from PubChem (CID 56796327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).