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

C18H34N2O — CID 107067277

IUPAC3-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-2-carboxamide
SMILESCCC(C)(C)C1CCC(NC(=O)C2NCCCC2C)CC1
InChIInChI=1S/C18H34N2O/c1-5-18(3,4)14-8-10-15(11-9-14)20-17(21)16-13(2)7-6-12-19-16/h13-16,19H,5-12H2,1-4H3,(H,20,21)
InChIKeyLMAVJKNMEIATMQ-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.49
Rot. Bonds4

About 3-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-2-carboxamide

3-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-2-carboxamide (PubChem CID 107067277) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 3-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-2-carboxamide
PubChem CID107067277
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name3-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-2-carboxamide
SMILESCCC(C)(C)C1CCC(NC(=O)C2NCCCC2C)CC1
InChIInChI=1S/C18H34N2O/c1-5-18(3,4)14-8-10-15(11-9-14)20-17(21)16-13(2)7-6-12-19-16/h13-16,19H,5-12H2,1-4H3,(H,20,21)
InChIKeyLMAVJKNMEIATMQ-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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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-2-carboxamide?
The IUPAC name of 3-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-2-carboxamide (CID 107067277) is 3-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-2-carboxamide?
The canonical SMILES for 3-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-2-carboxamide is CCC(C)(C)C1CCC(NC(=O)C2NCCCC2C)CC1.
What is the InChIKey of 3-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-2-carboxamide?
The InChIKey is LMAVJKNMEIATMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-5-18(3,4)14-8-10-15(11-9-14)20-17(21)16-13(2)7-6-12-19-16/h13-16,19H,5-12H2,1-4H3,(H,20,21).
What are the key properties of 3-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-2-carboxamide?
3-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 3-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-2-carboxamide is sourced from PubChem (CID 107067277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).