4-(triazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide

C15H16F3N5O — CID 121165130

IUPAC4-(triazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)N1CCC(n2nccn2)CC1
InChIInChI=1S/C15H16F3N5O/c16-15(17,18)12-3-1-2-4-13(12)21-14(24)22-9-5-11(6-10-22)23-19-7-8-20-23/h1-4,7-8,11H,5-6,9-10H2,(H,21,24)
InChIKeyMOMZOGMIPVPSKG-UHFFFAOYSA-N
MW339.32 g/mol
LogP3.17
Rot. Bonds2

About 4-(triazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide

4-(triazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide (PubChem CID 121165130) has the molecular formula C15H16F3N5O and a molecular weight of 339.32 g/mol. Its IUPAC name is 4-(triazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(triazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
PubChem CID121165130
Molecular FormulaC15H16F3N5O
Molecular Weight339.32 g/mol
Exact Mass339.13
IUPAC Name4-(triazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)N1CCC(n2nccn2)CC1
InChIInChI=1S/C15H16F3N5O/c16-15(17,18)12-3-1-2-4-13(12)21-14(24)22-9-5-11(6-10-22)23-19-7-8-20-23/h1-4,7-8,11H,5-6,9-10H2,(H,21,24)
InChIKeyMOMZOGMIPVPSKG-UHFFFAOYSA-N
XLogP3.17
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-thiomorpholin-4-yl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 72886540
(3R)-3-hydroxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 78931972
4-pyrimidin-2-yloxy-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 90558855
4-benzyl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 3857364
3-hydroxy-4-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 103896300
(3R)-3-phenyl-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 51895142
3-(4-cyclopropyltriazol-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 121190728
N-(2,3-dimethoxyphenyl)-4-(triazol-2-yl)piperidine-1-carboxamide
CID 121165128
3-amino-N-[2-(trifluoromethyl)phenyl]azetidine-1-carboxamide
CID 63767129
4-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 53029131
(4aS,8aS)-N-[2-(trifluoromethyl)phenyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-6-carboxamide
CID 124573188
4-[(2-phenylimidazol-1-yl)methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 90494539

Frequently Asked Questions

What is the IUPAC name of 4-(triazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-(triazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide (CID 121165130) is 4-(triazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(triazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(triazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide is O=C(Nc1ccccc1C(F)(F)F)N1CCC(n2nccn2)CC1.
What is the InChIKey of 4-(triazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is MOMZOGMIPVPSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5O/c16-15(17,18)12-3-1-2-4-13(12)21-14(24)22-9-5-11(6-10-22)23-19-7-8-20-23/h1-4,7-8,11H,5-6,9-10H2,(H,21,24).
What are the key properties of 4-(triazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
4-(triazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 339.32 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(triazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 121165130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).