N-piperidin-3-yl-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride

C13H22ClF3N2O — CID 119426864

IUPACN-piperidin-3-yl-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCCNC1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H21F3N2O.ClH/c14-13(15,16)10-4-1-3-9(7-10)12(19)18-11-5-2-6-17-8-11;/h9-11,17H,1-8H2,(H,18,19);1H
InChIKeyREDFQSBKFSBVFF-UHFFFAOYSA-N
MW314.78 g/mol
LogP2.65
Rot. Bonds2

About N-piperidin-3-yl-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride

N-piperidin-3-yl-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119426864) has the molecular formula C13H22ClF3N2O and a molecular weight of 314.78 g/mol. Its IUPAC name is N-piperidin-3-yl-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-piperidin-3-yl-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID119426864
Molecular FormulaC13H22ClF3N2O
Molecular Weight314.78 g/mol
Exact Mass314.14
IUPAC NameN-piperidin-3-yl-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCCNC1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H21F3N2O.ClH/c14-13(15,16)10-4-1-3-9(7-10)12(19)18-11-5-2-6-17-8-11;/h9-11,17H,1-8H2,(H,18,19);1H
InChIKeyREDFQSBKFSBVFF-UHFFFAOYSA-N
XLogP2.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.78
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-[3-(trifluoromethyl)cyclohexyl]piperidine-3-carboxamide
CID 81124272
N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119701141
N-(5-methylpiperidin-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 107585035
N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]cyclobutanecarboxamide
CID 94606396
3-[[(1S,3S)-3-(trifluoromethyl)cyclohexanecarbonyl]amino]cyclobutane-1-carboxylic acid
CID 129470119
N-(2-methylpiperidin-4-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106995136
4-(cyclopentanecarbonylamino)-N-piperidin-3-ylcyclohexane-1-carboxamide;hydrochloride
CID 119427846
(3S)-N-cyclobutylpiperidine-3-carboxamide
CID 81141296
N-(4-methylpyrrolidin-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104826195
N-pyrrolidin-3-ylcyclopentanecarboxamide;hydrochloride
CID 146675555
4-tert-butyl-N-piperidin-3-ylcyclohexane-1-carboxamide
CID 62718225
N-cyclopropyl-3-(trifluoromethyl)cyclopentane-1-carboxamide
CID 126783084

Frequently Asked Questions

What is the IUPAC name of N-piperidin-3-yl-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of N-piperidin-3-yl-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride (CID 119426864) is N-piperidin-3-yl-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-piperidin-3-yl-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for N-piperidin-3-yl-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride is Cl.O=C(NC1CCCNC1)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-piperidin-3-yl-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is REDFQSBKFSBVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O.ClH/c14-13(15,16)10-4-1-3-9(7-10)12(19)18-11-5-2-6-17-8-11;/h9-11,17H,1-8H2,(H,18,19);1H.
What are the key properties of N-piperidin-3-yl-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride?
N-piperidin-3-yl-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 314.78 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-3-yl-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119426864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).