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

C16H29ClN2O — CID 120636110

IUPAC(2S,4S)-N-(2-cyclohexylcyclopropyl)-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)NC2CC2C2CCCCC2)CCN1.Cl
InChIInChI=1S/C16H28N2O.ClH/c1-11-9-13(7-8-17-11)16(19)18-15-10-14(15)12-5-3-2-4-6-12;/h11-15,17H,2-10H2,1H3,(H,18,19);1H/t11-,13-,14?,15?;/m0./s1
InChIKeyXFKNFTZPJYWLEL-YNFAVJLPSA-N
MW300.87 g/mol
LogP2.88
Rot. Bonds3

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

(2S,4S)-N-(2-cyclohexylcyclopropyl)-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120636110) has the molecular formula C16H29ClN2O and a molecular weight of 300.87 g/mol. Its IUPAC name is (2S,4S)-N-(2-cyclohexylcyclopropyl)-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-(2-cyclohexylcyclopropyl)-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120636110
Molecular FormulaC16H29ClN2O
Molecular Weight300.87 g/mol
Exact Mass300.20
IUPAC Name(2S,4S)-N-(2-cyclohexylcyclopropyl)-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)NC2CC2C2CCCCC2)CCN1.Cl
InChIInChI=1S/C16H28N2O.ClH/c1-11-9-13(7-8-17-11)16(19)18-15-10-14(15)12-5-3-2-4-6-12;/h11-15,17H,2-10H2,1H3,(H,18,19);1H/t11-,13-,14?,15?;/m0./s1
InChIKeyXFKNFTZPJYWLEL-YNFAVJLPSA-N
XLogP2.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.87
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4S)-2-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)piperidine-4-carboxamide;hydrochloride
CID 120623102
2-[(2-methylpiperidine-4-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 106740331
N-cyclohexyl-2-methylpiperidine-4-carboxamide
CID 106738484
(2S,4S)-N-(2,4-dimethylcyclohexyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120632807
4-[(2-cyclohexylcyclopropyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673884
3-amino-N-(2-cyclohexylcyclopropyl)cyclohexane-1-carboxamide
CID 119803900
N-(2-ethylcyclopropyl)-2-methylpiperidine-4-carboxamide
CID 106832165
2-methyl-N-(2-methylsulfanylcyclopentyl)piperidine-4-carboxamide
CID 106832174
N-[(1S)-1-cyclohexylethyl]-2-methylpiperidine-4-carboxamide
CID 106740421
(2S,4S)-2-methyl-N-(3-methylcyclobutyl)piperidine-4-carboxamide
CID 120633929
N-(2-cyclohexylcyclopropyl)morpholine-3-carboxamide;hydrochloride
CID 119803887
(3S)-N-(2-cyclopropylcyclopropyl)pyrrolidine-3-carboxamide
CID 130763155

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-(2-cyclohexylcyclopropyl)-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-(2-cyclohexylcyclopropyl)-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120636110) is (2S,4S)-N-(2-cyclohexylcyclopropyl)-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-(2-cyclohexylcyclopropyl)-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-(2-cyclohexylcyclopropyl)-2-methylpiperidine-4-carboxamide;hydrochloride is C[C@H]1C[C@@H](C(=O)NC2CC2C2CCCCC2)CCN1.Cl.
What is the InChIKey of (2S,4S)-N-(2-cyclohexylcyclopropyl)-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is XFKNFTZPJYWLEL-YNFAVJLPSA-N. The full InChI is InChI=1S/C16H28N2O.ClH/c1-11-9-13(7-8-17-11)16(19)18-15-10-14(15)12-5-3-2-4-6-12;/h11-15,17H,2-10H2,1H3,(H,18,19);1H/t11-,13-,14?,15?;/m0./s1.
What are the key properties of (2S,4S)-N-(2-cyclohexylcyclopropyl)-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-(2-cyclohexylcyclopropyl)-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 300.87 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-(2-cyclohexylcyclopropyl)-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120636110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).