(2S,4S)-2-methyl-N-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide;hydrochloride

C16H31ClN2O — CID 120637437

IUPAC(2S,4S)-2-methyl-N-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide;hydrochloride
SMILESCC(C)C1CCC(NC(=O)[C@H]2CCN[C@@H](C)C2)CC1.Cl
InChIInChI=1S/C16H30N2O.ClH/c1-11(2)13-4-6-15(7-5-13)18-16(19)14-8-9-17-12(3)10-14;/h11-15,17H,4-10H2,1-3H3,(H,18,19);1H/t12-,13?,14-,15?;/m0./s1
InChIKeyNNMRCJHRJJSAOK-LLNFPADQSA-N
MW302.89 g/mol
LogP3.13
Rot. Bonds3

About (2S,4S)-2-methyl-N-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide;hydrochloride

(2S,4S)-2-methyl-N-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 120637437) has the molecular formula C16H31ClN2O and a molecular weight of 302.89 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide;hydrochloride
PubChem CID120637437
Molecular FormulaC16H31ClN2O
Molecular Weight302.89 g/mol
Exact Mass302.21
IUPAC Name(2S,4S)-2-methyl-N-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide;hydrochloride
SMILESCC(C)C1CCC(NC(=O)[C@H]2CCN[C@@H](C)C2)CC1.Cl
InChIInChI=1S/C16H30N2O.ClH/c1-11(2)13-4-6-15(7-5-13)18-16(19)14-8-9-17-12(3)10-14;/h11-15,17H,4-10H2,1-3H3,(H,18,19);1H/t12-,13?,14-,15?;/m0./s1
InChIKeyNNMRCJHRJJSAOK-LLNFPADQSA-N
XLogP3.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.89
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-2-methylpiperidine-4-carboxamide
CID 106738484
N-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide;hydrochloride
CID 119339836
N-(4-carbamoylcyclohexyl)-2-methylpiperidine-4-carboxamide
CID 106738893
N-(1-cyclopropylethyl)-2-methylpiperidine-4-carboxamide
CID 106738786
(2S,4S)-2-methyl-N-(3-methylcyclobutyl)piperidine-4-carboxamide
CID 120633929
N-(4-propan-2-ylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119812040
2-methyl-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide
CID 106739127
N-[(1S)-1-cyclohexylethyl]-2-methylpiperidine-4-carboxamide
CID 106740421
3-amino-N-(4-propan-2-ylcyclohexyl)cyclopentane-1-carboxamide;hydrochloride
CID 119812000
N-(1-cyclopropylpiperidin-4-yl)-2-methylpiperidine-4-carboxamide
CID 106739107
2-methyl-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 106738718
(2S,4S)-2-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide
CID 120618489

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-2-methyl-N-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide;hydrochloride (CID 120637437) is (2S,4S)-2-methyl-N-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-2-methyl-N-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-2-methyl-N-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide;hydrochloride is CC(C)C1CCC(NC(=O)[C@H]2CCN[C@@H](C)C2)CC1.Cl.
What is the InChIKey of (2S,4S)-2-methyl-N-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is NNMRCJHRJJSAOK-LLNFPADQSA-N. The full InChI is InChI=1S/C16H30N2O.ClH/c1-11(2)13-4-6-15(7-5-13)18-16(19)14-8-9-17-12(3)10-14;/h11-15,17H,4-10H2,1-3H3,(H,18,19);1H/t12-,13?,14-,15?;/m0./s1.
What are the key properties of (2S,4S)-2-methyl-N-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide;hydrochloride?
(2S,4S)-2-methyl-N-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 302.89 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-N-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120637437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).