N-piperidin-4-yl-1-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide

C19H25F3N2O — CID 119387498

IUPACN-piperidin-4-yl-1-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
SMILESO=C(NC1CCNCC1)C1(c2cccc(C(F)(F)F)c2)CCCCC1
InChIInChI=1S/C19H25F3N2O/c20-19(21,22)15-6-4-5-14(13-15)18(9-2-1-3-10-18)17(25)24-16-7-11-23-12-8-16/h4-6,13,16,23H,1-3,7-12H2,(H,24,25)
InChIKeyJEOLJHPCJLQQQV-UHFFFAOYSA-N
MW354.42 g/mol
LogP3.78
Rot. Bonds3

About N-piperidin-4-yl-1-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide

N-piperidin-4-yl-1-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide (PubChem CID 119387498) has the molecular formula C19H25F3N2O and a molecular weight of 354.42 g/mol. Its IUPAC name is N-piperidin-4-yl-1-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-piperidin-4-yl-1-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
PubChem CID119387498
Molecular FormulaC19H25F3N2O
Molecular Weight354.42 g/mol
Exact Mass354.19
IUPAC NameN-piperidin-4-yl-1-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
SMILESO=C(NC1CCNCC1)C1(c2cccc(C(F)(F)F)c2)CCCCC1
InChIInChI=1S/C19H25F3N2O/c20-19(21,22)15-6-4-5-14(13-15)18(9-2-1-3-10-18)17(25)24-16-7-11-23-12-8-16/h4-6,13,16,23H,1-3,7-12H2,(H,24,25)
InChIKeyJEOLJHPCJLQQQV-UHFFFAOYSA-N
XLogP3.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-N-piperidin-4-ylcyclohexane-1-carboxamide
CID 119387766
N-(3-methylpiperidin-4-yl)-1-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 120554712
N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 99811328
N-(oxan-4-yl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 71886913
1-(3-bromophenyl)-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride
CID 119452370
[4-(methylamino)piperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanone
CID 119561328
3-[[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]amino]propanoic acid
CID 119177258
N-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide
CID 146154637
N-[(3R)-1-cyclopropylpyrrolidin-3-yl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 95180815
1-(3-methylphenyl)-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 120598674
1-(3-chlorophenyl)-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide;hydrochloride
CID 120601700
N-(4-aminocyclohexyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119474298

Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-1-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of N-piperidin-4-yl-1-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide (CID 119387498) is N-piperidin-4-yl-1-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-piperidin-4-yl-1-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for N-piperidin-4-yl-1-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide is O=C(NC1CCNCC1)C1(c2cccc(C(F)(F)F)c2)CCCCC1.
What is the InChIKey of N-piperidin-4-yl-1-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide?
The InChIKey is JEOLJHPCJLQQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N2O/c20-19(21,22)15-6-4-5-14(13-15)18(9-2-1-3-10-18)17(25)24-16-7-11-23-12-8-16/h4-6,13,16,23H,1-3,7-12H2,(H,24,25).
What are the key properties of N-piperidin-4-yl-1-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide?
N-piperidin-4-yl-1-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide has a molecular weight of 354.42 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-1-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119387498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).