(2S,4S)-N-(2,4-dimethylcyclohexyl)-2-methylpiperidine-4-carboxamide;hydrochloride

C15H29ClN2O — CID 120632807

IUPAC(2S,4S)-N-(2,4-dimethylcyclohexyl)-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCC1CCC(NC(=O)[C@H]2CCN[C@@H](C)C2)C(C)C1.Cl
InChIInChI=1S/C15H28N2O.ClH/c1-10-4-5-14(11(2)8-10)17-15(18)13-6-7-16-12(3)9-13;/h10-14,16H,4-9H2,1-3H3,(H,17,18);1H/t10?,11?,12-,13-,14?;/m0./s1
InChIKeyRVKQBNXWPPFIBE-RJXDVLFRSA-N
MW288.86 g/mol
LogP2.74
Rot. Bonds2

About (2S,4S)-N-(2,4-dimethylcyclohexyl)-2-methylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-(2,4-dimethylcyclohexyl)-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120632807) has the molecular formula C15H29ClN2O and a molecular weight of 288.86 g/mol. Its IUPAC name is (2S,4S)-N-(2,4-dimethylcyclohexyl)-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-(2,4-dimethylcyclohexyl)-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120632807
Molecular FormulaC15H29ClN2O
Molecular Weight288.86 g/mol
Exact Mass288.20
IUPAC Name(2S,4S)-N-(2,4-dimethylcyclohexyl)-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCC1CCC(NC(=O)[C@H]2CCN[C@@H](C)C2)C(C)C1.Cl
InChIInChI=1S/C15H28N2O.ClH/c1-10-4-5-14(11(2)8-10)17-15(18)13-6-7-16-12(3)9-13;/h10-14,16H,4-9H2,1-3H3,(H,17,18);1H/t10?,11?,12-,13-,14?;/m0./s1
InChIKeyRVKQBNXWPPFIBE-RJXDVLFRSA-N
XLogP2.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.86
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4S)-N-(2-cyclohexylcyclopropyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120636110
(2S,4S)-2-methyl-N-(3-methylcyclobutyl)piperidine-4-carboxamide
CID 120633929
N-(1,3-dimethylpiperidin-4-yl)-2-methylpiperidine-4-carboxamide
CID 106740745
4-[(2,4-dimethylcyclohexyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63997990
(2S)-N-(2,4-dimethylcyclohexyl)pyrrolidine-2-carboxamide
CID 63997751
N-(2-ethylcyclopropyl)-2-methylpiperidine-4-carboxamide
CID 106832165
2-[(2-methylpiperidine-4-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 106740331
N-(2,4-dimethylcyclohexyl)azepane-2-carboxamide
CID 64570961
(2S,4S)-2-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)piperidine-4-carboxamide;hydrochloride
CID 120623102
N-cyclohexyl-2-methylpiperidine-4-carboxamide
CID 106738484
2-methyl-N-(2-methylsulfanylcyclopentyl)piperidine-4-carboxamide
CID 106832174
(2S,4S)-2-methyl-N-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide;hydrochloride
CID 120637437

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-(2,4-dimethylcyclohexyl)-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-(2,4-dimethylcyclohexyl)-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120632807) is (2S,4S)-N-(2,4-dimethylcyclohexyl)-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-(2,4-dimethylcyclohexyl)-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-(2,4-dimethylcyclohexyl)-2-methylpiperidine-4-carboxamide;hydrochloride is CC1CCC(NC(=O)[C@H]2CCN[C@@H](C)C2)C(C)C1.Cl.
What is the InChIKey of (2S,4S)-N-(2,4-dimethylcyclohexyl)-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is RVKQBNXWPPFIBE-RJXDVLFRSA-N. The full InChI is InChI=1S/C15H28N2O.ClH/c1-10-4-5-14(11(2)8-10)17-15(18)13-6-7-16-12(3)9-13;/h10-14,16H,4-9H2,1-3H3,(H,17,18);1H/t10?,11?,12-,13-,14?;/m0./s1.
What are the key properties of (2S,4S)-N-(2,4-dimethylcyclohexyl)-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-(2,4-dimethylcyclohexyl)-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 288.86 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-(2,4-dimethylcyclohexyl)-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120632807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).