4-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-2-carboxamide

C18H34N2O — CID 114422931

IUPAC4-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-2-carboxamide
SMILESCCC(C)(C)C1CCC(NC(=O)C2CC(C)CCN2)CC1
InChIInChI=1S/C18H34N2O/c1-5-18(3,4)14-6-8-15(9-7-14)20-17(21)16-12-13(2)10-11-19-16/h13-16,19H,5-12H2,1-4H3,(H,20,21)
InChIKeyWOKKVVFLKKTMGY-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.49
Rot. Bonds4

About 4-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-2-carboxamide

4-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-2-carboxamide (PubChem CID 114422931) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 4-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-2-carboxamide
PubChem CID114422931
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name4-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-2-carboxamide
SMILESCCC(C)(C)C1CCC(NC(=O)C2CC(C)CCN2)CC1
InChIInChI=1S/C18H34N2O/c1-5-18(3,4)14-6-8-15(9-7-14)20-17(21)16-12-13(2)10-11-19-16/h13-16,19H,5-12H2,1-4H3,(H,20,21)
InChIKeyWOKKVVFLKKTMGY-UHFFFAOYSA-N
XLogP3.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4S)-2-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide
CID 120618489
N-(2,2-dimethylbutyl)-4-methylpiperidine-2-carboxamide
CID 103461667
3-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-2-carboxamide
CID 107067277
N-(1-cyclopropylpiperidin-4-yl)-4-methylpiperidine-2-carboxamide
CID 114423145
4-methyl-N-(thiolan-3-yl)piperidine-2-carboxamide
CID 103063009
4-methyl-N-(2,4,4-trimethylpentan-2-yl)piperidine-2-carboxamide
CID 114423167
3-methyl-3-[(4-methylpiperidine-2-carbonyl)amino]butanoic acid
CID 113342121
2-methyl-2-[[(4-methylpiperidine-2-carbonyl)amino]methyl]butanoic acid
CID 114424387
N-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpiperidine-2-carboxamide
CID 114424240
N-(2,2-diethyloxan-4-yl)-4-methylpiperidine-2-carboxamide
CID 114424424
N-[4-(2-methylbutan-2-yl)cyclohexyl]-1,1-dioxothiane-4-carboxamide
CID 75407298
N-(2-ethylcyclohexyl)-4-methylpiperidine-2-carboxamide
CID 114423051

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-2-carboxamide?
The IUPAC name of 4-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-2-carboxamide (CID 114422931) is 4-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-2-carboxamide.
What is the SMILES notation for 4-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-2-carboxamide?
The canonical SMILES for 4-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-2-carboxamide is CCC(C)(C)C1CCC(NC(=O)C2CC(C)CCN2)CC1.
What is the InChIKey of 4-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-2-carboxamide?
The InChIKey is WOKKVVFLKKTMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-5-18(3,4)14-6-8-15(9-7-14)20-17(21)16-12-13(2)10-11-19-16/h13-16,19H,5-12H2,1-4H3,(H,20,21).
What are the key properties of 4-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-2-carboxamide?
4-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-2-carboxamide has a molecular weight of 294.48 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-2-carboxamide is sourced from PubChem (CID 114422931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).