3-hydroxy-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide

C14H17F3N2O2 — CID 110891069

IUPAC3-hydroxy-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCCC(O)C2)cc1C(F)(F)F
InChIInChI=1S/C14H17F3N2O2/c1-9-4-5-10(7-12(9)14(15,16)17)18-13(21)19-6-2-3-11(20)8-19/h4-5,7,11,20H,2-3,6,8H2,1H3,(H,18,21)
InChIKeyQZILRTOZKOCFHZ-UHFFFAOYSA-N
MW302.30 g/mol
LogP3.00
Rot. Bonds1

About 3-hydroxy-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide

3-hydroxy-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide (PubChem CID 110891069) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 3-hydroxy-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
PubChem CID110891069
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name3-hydroxy-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCCC(O)C2)cc1C(F)(F)F
InChIInChI=1S/C14H17F3N2O2/c1-9-4-5-10(7-12(9)14(15,16)17)18-13(21)19-6-2-3-11(20)8-19/h4-5,7,11,20H,2-3,6,8H2,1H3,(H,18,21)
InChIKeyQZILRTOZKOCFHZ-UHFFFAOYSA-N
XLogP3.00
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-4-(hydroxymethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 119036533
(3R)-N-(3,4-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111430925
4-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid
CID 61439140
(3R)-N-(3,4-dichlorophenyl)-3-hydroxypiperidine-1-carboxamide
CID 40973267
2-(4-hydroxypiperidin-1-yl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-2-oxoacetamide
CID 110901563
(3S)-3-hydroxy-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 107224975
4-(2-hydroxyphenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 86988121
N-(3-fluoro-4-methylphenyl)-3-methylpiperidine-1-carboxamide
CID 17087793
3-hydroxy-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-1-carboxamide
CID 110890733
N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 47456948
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-hydroxypiperidine-1-carboxamide
CID 75461125
N-(3-chlorophenyl)-3-hydroxypiperidine-1-carboxamide
CID 17392993

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 3-hydroxy-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide (CID 110891069) is 3-hydroxy-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 3-hydroxy-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide is Cc1ccc(NC(=O)N2CCCC(O)C2)cc1C(F)(F)F.
What is the InChIKey of 3-hydroxy-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is QZILRTOZKOCFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-9-4-5-10(7-12(9)14(15,16)17)18-13(21)19-6-2-3-11(20)8-19/h4-5,7,11,20H,2-3,6,8H2,1H3,(H,18,21).
What are the key properties of 3-hydroxy-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
3-hydroxy-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 302.30 g/mol, XLogP of 3.00, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 110891069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).