3-hydroxy-4-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide

C14H17F3N2O2 — CID 103896300

IUPAC3-hydroxy-4-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2ccccc2C(F)(F)F)CC1O
InChIInChI=1S/C14H17F3N2O2/c1-9-6-7-19(8-12(9)20)13(21)18-11-5-3-2-4-10(11)14(15,16)17/h2-5,9,12,20H,6-8H2,1H3,(H,18,21)
InChIKeyIRCRAKPBKMVXBZ-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.94
Rot. Bonds1

About 3-hydroxy-4-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide

3-hydroxy-4-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide (PubChem CID 103896300) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 3-hydroxy-4-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-hydroxy-4-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
PubChem CID103896300
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name3-hydroxy-4-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2ccccc2C(F)(F)F)CC1O
InChIInChI=1S/C14H17F3N2O2/c1-9-6-7-19(8-12(9)20)13(21)18-11-5-3-2-4-10(11)14(15,16)17/h2-5,9,12,20H,6-8H2,1H3,(H,18,21)
InChIKeyIRCRAKPBKMVXBZ-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-hydroxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 78931972
(3R)-3-phenyl-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 51895142
3-amino-N-[2-(trifluoromethyl)phenyl]azetidine-1-carboxamide
CID 63767129
3-methyl-4-(4-methylphenyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 17381843
4-benzyl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 3857364
4-(triazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 121165130
3-(cyclopropylmethoxy)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 121197684
1-acetyl-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 6470827
4-thiomorpholin-4-yl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 72886540
(4aS,8aS)-N-[2-(trifluoromethyl)phenyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-6-carboxamide
CID 124573188
(2R,5S)-2,5-dimethyl-N-[2-(trifluoromethyl)phenyl]morpholine-4-carboxamide
CID 97315919
4-pyrimidin-2-yloxy-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 90558855

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 3-hydroxy-4-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide (CID 103896300) is 3-hydroxy-4-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-hydroxy-4-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 3-hydroxy-4-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide is CC1CCN(C(=O)Nc2ccccc2C(F)(F)F)CC1O.
What is the InChIKey of 3-hydroxy-4-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is IRCRAKPBKMVXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-9-6-7-19(8-12(9)20)13(21)18-11-5-3-2-4-10(11)14(15,16)17/h2-5,9,12,20H,6-8H2,1H3,(H,18,21).
What are the key properties of 3-hydroxy-4-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
3-hydroxy-4-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 302.30 g/mol, XLogP of 2.94, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 103896300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).