(2S,4S)-N-(3-carbamoylcyclohexyl)-2-methylpiperidine-4-carboxamide

C14H25N3O2 — CID 120628042

IUPAC(2S,4S)-N-(3-carbamoylcyclohexyl)-2-methylpiperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)NC2CCCC(C(N)=O)C2)CCN1
InChIInChI=1S/C14H25N3O2/c1-9-7-11(5-6-16-9)14(19)17-12-4-2-3-10(8-12)13(15)18/h9-12,16H,2-8H2,1H3,(H2,15,18)(H,17,19)/t9-,10?,11-,12?/m0/s1
InChIKeyTXGVVJXJDSDICL-VOBJUBJWSA-N
MW267.37 g/mol
LogP0.53
Rot. Bonds3

About (2S,4S)-N-(3-carbamoylcyclohexyl)-2-methylpiperidine-4-carboxamide

(2S,4S)-N-(3-carbamoylcyclohexyl)-2-methylpiperidine-4-carboxamide (PubChem CID 120628042) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is (2S,4S)-N-(3-carbamoylcyclohexyl)-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-(3-carbamoylcyclohexyl)-2-methylpiperidine-4-carboxamide
PubChem CID120628042
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name(2S,4S)-N-(3-carbamoylcyclohexyl)-2-methylpiperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)NC2CCCC(C(N)=O)C2)CCN1
InChIInChI=1S/C14H25N3O2/c1-9-7-11(5-6-16-9)14(19)17-12-4-2-3-10(8-12)13(15)18/h9-12,16H,2-8H2,1H3,(H2,15,18)(H,17,19)/t9-,10?,11-,12?/m0/s1
InChIKeyTXGVVJXJDSDICL-VOBJUBJWSA-N
XLogP0.53
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-carbamoylcyclohexyl)-2-methylpiperidine-4-carboxamide
CID 106738893
N-cyclohexyl-2-methylpiperidine-4-carboxamide
CID 106738484
(2S,4S)-2-methyl-N-(3-methylcyclobutyl)piperidine-4-carboxamide
CID 120633929
N-(2-methylpiperidin-4-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106995136
(2S,4S)-2-methyl-N-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide;hydrochloride
CID 120637437
2-methyl-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide
CID 106739127
N-(1-cyclopropylpiperidin-4-yl)-2-methylpiperidine-4-carboxamide
CID 106739107
[(1S,3S)-3-carbamoylcyclohexyl]carbamic acid
CID 68629698
4-methyl-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 106995297
2-methyl-N-(2-methylsulfanylcyclopentyl)piperidine-4-carboxamide
CID 106832174
N-[3-(piperidine-4-carbonylamino)cyclohexyl]piperidine-4-carboxamide
CID 171722600
2-[(2-methylpiperidine-4-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 106740331

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-(3-carbamoylcyclohexyl)-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-(3-carbamoylcyclohexyl)-2-methylpiperidine-4-carboxamide (CID 120628042) is (2S,4S)-N-(3-carbamoylcyclohexyl)-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-(3-carbamoylcyclohexyl)-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-(3-carbamoylcyclohexyl)-2-methylpiperidine-4-carboxamide is C[C@H]1C[C@@H](C(=O)NC2CCCC(C(N)=O)C2)CCN1.
What is the InChIKey of (2S,4S)-N-(3-carbamoylcyclohexyl)-2-methylpiperidine-4-carboxamide?
The InChIKey is TXGVVJXJDSDICL-VOBJUBJWSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-9-7-11(5-6-16-9)14(19)17-12-4-2-3-10(8-12)13(15)18/h9-12,16H,2-8H2,1H3,(H2,15,18)(H,17,19)/t9-,10?,11-,12?/m0/s1.
What are the key properties of (2S,4S)-N-(3-carbamoylcyclohexyl)-2-methylpiperidine-4-carboxamide?
(2S,4S)-N-(3-carbamoylcyclohexyl)-2-methylpiperidine-4-carboxamide has a molecular weight of 267.37 g/mol, XLogP of 0.53, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-(3-carbamoylcyclohexyl)-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120628042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).