3-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide

C15H19F3N2O2 — CID 110894959

IUPAC3-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide
SMILESCC(NC(=O)N1CCCC(O)C1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H19F3N2O2/c1-10(11-4-2-5-12(8-11)15(16,17)18)19-14(22)20-7-3-6-13(21)9-20/h2,4-5,8,10,13,21H,3,6-7,9H2,1H3,(H,19,22)
InChIKeyJWLGNIDBYOURAE-UHFFFAOYSA-N
MW316.32 g/mol
LogP2.93
Rot. Bonds2

About 3-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide

3-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide (PubChem CID 110894959) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is 3-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide
PubChem CID110894959
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC Name3-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide
SMILESCC(NC(=O)N1CCCC(O)C1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H19F3N2O2/c1-10(11-4-2-5-12(8-11)15(16,17)18)19-14(22)20-7-3-6-13(21)9-20/h2,4-5,8,10,13,21H,3,6-7,9H2,1H3,(H,19,22)
InChIKeyJWLGNIDBYOURAE-UHFFFAOYSA-N
XLogP2.93
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,2,2-trifluoroethyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,4-diazepane-1-carboxamide
CID 78888469
1-[[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]carbamoyl]piperidine-3-carboxylic acid
CID 122000122
3-hydroxy-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]piperidine-1-carboxamide
CID 111117330
N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexanecarboxamide
CID 112764056
N-[1-(4-cyanophenyl)ethyl]-3-hydroxypiperidine-1-carboxamide
CID 110896566
1-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 51126470
N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 26313473
(3-hydroxypiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 110928443
1-(4-fluorophenyl)sulfonyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
CID 17440165
(3R)-1-(4-fluorophenyl)sulfonyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
CID 40790617
1-[3-(methylamino)piperidin-1-yl]-3-[3-(trifluoromethyl)phenyl]butan-1-one;hydrochloride
CID 119488101
cis-(1S,2R)-2-methyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide
CID 51968750

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide?
The IUPAC name of 3-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide (CID 110894959) is 3-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide?
The canonical SMILES for 3-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide is CC(NC(=O)N1CCCC(O)C1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide?
The InChIKey is JWLGNIDBYOURAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c1-10(11-4-2-5-12(8-11)15(16,17)18)19-14(22)20-7-3-6-13(21)9-20/h2,4-5,8,10,13,21H,3,6-7,9H2,1H3,(H,19,22).
What are the key properties of 3-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide?
3-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide has a molecular weight of 316.32 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 110894959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).