(3S)-N-methyl-N-(2-methylcyclohexyl)piperidine-3-carboxamide

C14H26N2O — CID 81129419

IUPAC(3S)-N-methyl-N-(2-methylcyclohexyl)piperidine-3-carboxamide
SMILESCC1CCCCC1N(C)C(=O)[C@H]1CCCNC1
InChIInChI=1S/C14H26N2O/c1-11-6-3-4-8-13(11)16(2)14(17)12-7-5-9-15-10-12/h11-13,15H,3-10H2,1-2H3/t11?,12-,13?/m0/s1
InChIKeyNFYSWXUGOXUMMQ-CPCZMJQVSA-N
MW238.37 g/mol
LogP2.02
Rot. Bonds2

About (3S)-N-methyl-N-(2-methylcyclohexyl)piperidine-3-carboxamide

(3S)-N-methyl-N-(2-methylcyclohexyl)piperidine-3-carboxamide (PubChem CID 81129419) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is (3S)-N-methyl-N-(2-methylcyclohexyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-methyl-N-(2-methylcyclohexyl)piperidine-3-carboxamide
PubChem CID81129419
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name(3S)-N-methyl-N-(2-methylcyclohexyl)piperidine-3-carboxamide
SMILESCC1CCCCC1N(C)C(=O)[C@H]1CCCNC1
InChIInChI=1S/C14H26N2O/c1-11-6-3-4-8-13(11)16(2)14(17)12-7-5-9-15-10-12/h11-13,15H,3-10H2,1-2H3/t11?,12-,13?/m0/s1
InChIKeyNFYSWXUGOXUMMQ-CPCZMJQVSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-cyclopentyl-N-methylpiperidine-3-carboxamide
CID 81123260
N-(1-ethyl-3-methylpiperidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 119893413
(3S)-N,N-dimethylpiperidine-3-carboxamide
CID 11469201
(3R)-N-cyclopropyl-N-methylpyrrolidine-3-carboxamide
CID 94915741
(3S)-N-methoxy-N-methylpiperidine-3-carboxamide
CID 81140301
N-methyl-N-(2-methylsulfonylcyclohexyl)pyrrolidine-3-carboxamide
CID 119803196
(3R)-N-methyl-N-[(2-methylcyclopropyl)methyl]piperidine-3-carboxamide
CID 81139885
3-amino-N-methyl-N-(2-methylcyclohexyl)cyclopentane-1-carboxamide
CID 66008967
(3S)-N-methyl-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 131110681
(3R)-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-N-methylpiperidine-3-carboxamide
CID 124569119
N,N-diethylpiperidine-3-carboxamide
CID 18793
N-(2-hydroxyethyl)-N-methylpiperidine-3-carboxamide
CID 50988968

Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-N-(2-methylcyclohexyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-methyl-N-(2-methylcyclohexyl)piperidine-3-carboxamide (CID 81129419) is (3S)-N-methyl-N-(2-methylcyclohexyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-methyl-N-(2-methylcyclohexyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-methyl-N-(2-methylcyclohexyl)piperidine-3-carboxamide is CC1CCCCC1N(C)C(=O)[C@H]1CCCNC1.
What is the InChIKey of (3S)-N-methyl-N-(2-methylcyclohexyl)piperidine-3-carboxamide?
The InChIKey is NFYSWXUGOXUMMQ-CPCZMJQVSA-N. The full InChI is InChI=1S/C14H26N2O/c1-11-6-3-4-8-13(11)16(2)14(17)12-7-5-9-15-10-12/h11-13,15H,3-10H2,1-2H3/t11?,12-,13?/m0/s1.
What are the key properties of (3S)-N-methyl-N-(2-methylcyclohexyl)piperidine-3-carboxamide?
(3S)-N-methyl-N-(2-methylcyclohexyl)piperidine-3-carboxamide has a molecular weight of 238.37 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methyl-N-(2-methylcyclohexyl)piperidine-3-carboxamide is sourced from PubChem (CID 81129419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).