1-(4-cyclohexylbutanoyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide

C20H36N2O2 — CID 86983173

IUPAC1-(4-cyclohexylbutanoyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)N(C)C(=O)C1CCN(C(=O)CCCC2CCCCC2)CC1
InChIInChI=1S/C20H36N2O2/c1-16(2)21(3)20(24)18-12-14-22(15-13-18)19(23)11-7-10-17-8-5-4-6-9-17/h16-18H,4-15H2,1-3H3
InChIKeyCKHDORQMMIZCJN-UHFFFAOYSA-N
MW336.52 g/mol
LogP3.84
Rot. Bonds6

About 1-(4-cyclohexylbutanoyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide

1-(4-cyclohexylbutanoyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 86983173) has the molecular formula C20H36N2O2 and a molecular weight of 336.52 g/mol. Its IUPAC name is 1-(4-cyclohexylbutanoyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-cyclohexylbutanoyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID86983173
Molecular FormulaC20H36N2O2
Molecular Weight336.52 g/mol
Exact Mass336.28
IUPAC Name1-(4-cyclohexylbutanoyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)N(C)C(=O)C1CCN(C(=O)CCCC2CCCCC2)CC1
InChIInChI=1S/C20H36N2O2/c1-16(2)21(3)20(24)18-12-14-22(15-13-18)19(23)11-7-10-17-8-5-4-6-9-17/h16-18H,4-15H2,1-3H3
InChIKeyCKHDORQMMIZCJN-UHFFFAOYSA-N
XLogP3.84
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-cyclohexylbutanoyl)piperidine-4-carboxylic acid
CID 43354138
1-(4-cyclohexylbutanoyl)piperidine-4-carboxamide
CID 78784857
1-(2-cyclopentylsulfinylacetyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 75381738
2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 78856763
13-cyclopentyl-1-pyrrolidin-1-yltridecan-1-one
CID 91705040
4-cyclohexyl-1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]butan-1-one
CID 55673832
4-cyclohexyl-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-one
CID 80707393
1-[2-[cyclohexylmethyl(methyl)amino]-2-oxoethyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 87016849
1-[2-[4-cyclopentylbutanoyl(methyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119236283
1-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 87012543
1-(3-cyclohexylpropanoyl)piperidine-4-carboxamide
CID 17312024
1-(4-hydroxybutanoyl)-N,N-dimethylpiperidine-4-carboxamide
CID 79200392

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylbutanoyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(4-cyclohexylbutanoyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide (CID 86983173) is 1-(4-cyclohexylbutanoyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-cyclohexylbutanoyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4-cyclohexylbutanoyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide is CC(C)N(C)C(=O)C1CCN(C(=O)CCCC2CCCCC2)CC1.
What is the InChIKey of 1-(4-cyclohexylbutanoyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is CKHDORQMMIZCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O2/c1-16(2)21(3)20(24)18-12-14-22(15-13-18)19(23)11-7-10-17-8-5-4-6-9-17/h16-18H,4-15H2,1-3H3.
What are the key properties of 1-(4-cyclohexylbutanoyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide?
1-(4-cyclohexylbutanoyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 336.52 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylbutanoyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 86983173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).