(2S)-N-(4-ethylcyclohexyl)-N-methylpiperidine-2-carboxamide

C15H28N2O — CID 93456348

IUPAC(2S)-N-(4-ethylcyclohexyl)-N-methylpiperidine-2-carboxamide
SMILESCCC1CCC(N(C)C(=O)[C@@H]2CCCCN2)CC1
InChIInChI=1S/C15H28N2O/c1-3-12-7-9-13(10-8-12)17(2)15(18)14-6-4-5-11-16-14/h12-14,16H,3-11H2,1-2H3/t12?,13?,14-/m0/s1
InChIKeyXRVUNZQHLPKXQG-RUXDESIVSA-N
MW252.40 g/mol
LogP2.56
Rot. Bonds3

About (2S)-N-(4-ethylcyclohexyl)-N-methylpiperidine-2-carboxamide

(2S)-N-(4-ethylcyclohexyl)-N-methylpiperidine-2-carboxamide (PubChem CID 93456348) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is (2S)-N-(4-ethylcyclohexyl)-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-ethylcyclohexyl)-N-methylpiperidine-2-carboxamide
PubChem CID93456348
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name(2S)-N-(4-ethylcyclohexyl)-N-methylpiperidine-2-carboxamide
SMILESCCC1CCC(N(C)C(=O)[C@@H]2CCCCN2)CC1
InChIInChI=1S/C15H28N2O/c1-3-12-7-9-13(10-8-12)17(2)15(18)14-6-4-5-11-16-14/h12-14,16H,3-11H2,1-2H3/t12?,13?,14-/m0/s1
InChIKeyXRVUNZQHLPKXQG-RUXDESIVSA-N
XLogP2.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-cyclohexyl-N-methylpyrrolidine-2-carboxamide
CID 23520170
N-methyl-N-(thian-4-yl)piperidine-2-carboxamide
CID 121203607
N-methyl-N-(oxan-4-yl)piperidine-2-carboxamide
CID 43611075
N-cyclobutyl-N-methylazetidine-2-carboxamide
CID 130908967
N-(3-ethylsulfanylcyclopentyl)-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119342642
(2R)-N-methyl-N-(1-methylpiperidin-3-yl)piperidine-2-carboxamide
CID 104913856
(2R)-N-methyl-N-(oxan-4-yl)pyrrolidine-2-carboxamide
CID 93224848
N-(cyclopropylmethyl)-N-methylazepane-2-carboxamide
CID 64563812
N-methyl-N-(oxolan-3-yl)piperidine-2-carboxamide
CID 82738037
N-(4-ethylcyclohexyl)-N,2-dimethylpyrrolidine-3-carboxamide
CID 79388536
(2R)-N-cyclopropyl-N-(cyclopropylmethyl)pyrrolidine-2-carboxamide
CID 103796354
(2S)-N-(1,1-dioxothiolan-3-yl)-N-methylpiperidine-2-carboxamide
CID 103807849

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-ethylcyclohexyl)-N-methylpiperidine-2-carboxamide?
The IUPAC name of (2S)-N-(4-ethylcyclohexyl)-N-methylpiperidine-2-carboxamide (CID 93456348) is (2S)-N-(4-ethylcyclohexyl)-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(4-ethylcyclohexyl)-N-methylpiperidine-2-carboxamide?
The canonical SMILES for (2S)-N-(4-ethylcyclohexyl)-N-methylpiperidine-2-carboxamide is CCC1CCC(N(C)C(=O)[C@@H]2CCCCN2)CC1.
What is the InChIKey of (2S)-N-(4-ethylcyclohexyl)-N-methylpiperidine-2-carboxamide?
The InChIKey is XRVUNZQHLPKXQG-RUXDESIVSA-N. The full InChI is InChI=1S/C15H28N2O/c1-3-12-7-9-13(10-8-12)17(2)15(18)14-6-4-5-11-16-14/h12-14,16H,3-11H2,1-2H3/t12?,13?,14-/m0/s1.
What are the key properties of (2S)-N-(4-ethylcyclohexyl)-N-methylpiperidine-2-carboxamide?
(2S)-N-(4-ethylcyclohexyl)-N-methylpiperidine-2-carboxamide has a molecular weight of 252.40 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-ethylcyclohexyl)-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 93456348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).