(3S)-N-cyclohexyl-1-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide

C19H25F3N2O — CID 58585895

IUPAC(3S)-N-cyclohexyl-1-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
SMILESO=C(NC1CCCCC1)[C@H]1CCCN(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C19H25F3N2O/c20-19(21,22)15-8-10-17(11-9-15)24-12-4-5-14(13-24)18(25)23-16-6-2-1-3-7-16/h8-11,14,16H,1-7,12-13H2,(H,23,25)/t14-/m0/s1
InChIKeyZSQBFLPIYJOWES-AWEZNQCLSA-N
MW354.42 g/mol
LogP4.37
Rot. Bonds3

About (3S)-N-cyclohexyl-1-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide

(3S)-N-cyclohexyl-1-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide (PubChem CID 58585895) has the molecular formula C19H25F3N2O and a molecular weight of 354.42 g/mol. Its IUPAC name is (3S)-N-cyclohexyl-1-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-cyclohexyl-1-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
PubChem CID58585895
Molecular FormulaC19H25F3N2O
Molecular Weight354.42 g/mol
Exact Mass354.19
IUPAC Name(3S)-N-cyclohexyl-1-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
SMILESO=C(NC1CCCCC1)[C@H]1CCCN(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C19H25F3N2O/c20-19(21,22)15-8-10-17(11-9-15)24-12-4-5-14(13-24)18(25)23-16-6-2-1-3-7-16/h8-11,14,16H,1-7,12-13H2,(H,23,25)/t14-/m0/s1
InChIKeyZSQBFLPIYJOWES-AWEZNQCLSA-N
XLogP4.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cycloheptyl-1-pyridin-4-ylpiperidine-3-carboxamide
CID 46384630
(3S)-1-[4-(cycloheptylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 94467987
(3S)-N-cycloheptyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452540
N-cycloheptyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-3-carboxamide
CID 42654035
N-cyclopentyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 26017391
1-pyrazin-2-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]piperidine-3-carboxamide
CID 46474959
2-pyridin-2-yl-N-[(3R)-1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]acetamide
CID 58834511
(2S)-N-cyclohexyl-1-[4-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxamide
CID 110285809
1-N-cyclopentyl-4-N-(4-piperidin-1-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 109145891
N-cycloheptyl-5-oxo-1-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113189874
N-cyclododecyl-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 108791094
(3S)-N-cyclohexyl-1-[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
CID 95152094

Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclohexyl-1-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-cyclohexyl-1-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide (CID 58585895) is (3S)-N-cyclohexyl-1-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-cyclohexyl-1-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-cyclohexyl-1-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide is O=C(NC1CCCCC1)[C@H]1CCCN(c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of (3S)-N-cyclohexyl-1-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The InChIKey is ZSQBFLPIYJOWES-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H25F3N2O/c20-19(21,22)15-8-10-17(11-9-15)24-12-4-5-14(13-24)18(25)23-16-6-2-1-3-7-16/h8-11,14,16H,1-7,12-13H2,(H,23,25)/t14-/m0/s1.
What are the key properties of (3S)-N-cyclohexyl-1-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
(3S)-N-cyclohexyl-1-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide has a molecular weight of 354.42 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-cyclohexyl-1-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 58585895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).