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

C18H34N2O — CID 120618489

IUPAC(2S,4S)-2-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide
SMILESCCC(C)(C)C1CCC(NC(=O)[C@H]2CCN[C@@H](C)C2)CC1
InChIInChI=1S/C18H34N2O/c1-5-18(3,4)15-6-8-16(9-7-15)20-17(21)14-10-11-19-13(2)12-14/h13-16,19H,5-12H2,1-4H3,(H,20,21)/t13-,14-,15?,16?/m0/s1
InChIKeyBAOAHRQFRWOIID-FXQLRMTLSA-N
MW294.48 g/mol
LogP3.49
Rot. Bonds4

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

(2S,4S)-2-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide (PubChem CID 120618489) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide
PubChem CID120618489
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name(2S,4S)-2-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide
SMILESCCC(C)(C)C1CCC(NC(=O)[C@H]2CCN[C@@H](C)C2)CC1
InChIInChI=1S/C18H34N2O/c1-5-18(3,4)15-6-8-16(9-7-15)20-17(21)14-10-11-19-13(2)12-14/h13-16,19H,5-12H2,1-4H3,(H,20,21)/t13-,14-,15?,16?/m0/s1
InChIKeyBAOAHRQFRWOIID-FXQLRMTLSA-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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Related Compounds

2-methyl-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide
CID 106739127
4-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-2-carboxamide
CID 114422931
N-cyclohexyl-2-methylpiperidine-4-carboxamide
CID 106738484
N-(4-carbamoylcyclohexyl)-2-methylpiperidine-4-carboxamide
CID 106738893
3-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-2-carboxamide
CID 107067277
(2S,4S)-2-methyl-N-(3-methylcyclobutyl)piperidine-4-carboxamide
CID 120633929
N-[4-(2-methylbutan-2-yl)cyclohexyl]-1,1-dioxothiane-4-carboxamide
CID 75407298
(2S,4S)-2-methyl-N-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide;hydrochloride
CID 120637437
4-tert-butyl-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 106995414
N-(1-cyclopropylpiperidin-4-yl)-2-methylpiperidine-4-carboxamide
CID 106739107
N-(2-ethylcyclopropyl)-2-methylpiperidine-4-carboxamide
CID 106832165
(2S,4S)-N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120633533

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide?
The IUPAC name of (2S,4S)-2-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide (CID 120618489) is (2S,4S)-2-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-2-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-2-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide is CCC(C)(C)C1CCC(NC(=O)[C@H]2CCN[C@@H](C)C2)CC1.
What is the InChIKey of (2S,4S)-2-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide?
The InChIKey is BAOAHRQFRWOIID-FXQLRMTLSA-N. The full InChI is InChI=1S/C18H34N2O/c1-5-18(3,4)15-6-8-16(9-7-15)20-17(21)14-10-11-19-13(2)12-14/h13-16,19H,5-12H2,1-4H3,(H,20,21)/t13-,14-,15?,16?/m0/s1.
What are the key properties of (2S,4S)-2-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide?
(2S,4S)-2-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-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 (2S,4S)-2-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide is sourced from PubChem (CID 120618489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).