1-(2-fluorophenyl)-N-(2-methylpiperidin-3-yl)-5-(trifluoromethyl)triazole-4-carboxamide

C16H17F4N5O — CID 120573418

IUPAC1-(2-fluorophenyl)-N-(2-methylpiperidin-3-yl)-5-(trifluoromethyl)triazole-4-carboxamide
SMILESCC1NCCCC1NC(=O)c1nnn(-c2ccccc2F)c1C(F)(F)F
InChIInChI=1S/C16H17F4N5O/c1-9-11(6-4-8-21-9)22-15(26)13-14(16(18,19)20)25(24-23-13)12-7-3-2-5-10(12)17/h2-3,5,7,9,11,21H,4,6,8H2,1H3,(H,22,26)
InChIKeyKDGWRGXTEXJMBX-UHFFFAOYSA-N
MW371.34 g/mol
LogP2.30
Rot. Bonds3

About 1-(2-fluorophenyl)-N-(2-methylpiperidin-3-yl)-5-(trifluoromethyl)triazole-4-carboxamide

1-(2-fluorophenyl)-N-(2-methylpiperidin-3-yl)-5-(trifluoromethyl)triazole-4-carboxamide (PubChem CID 120573418) has the molecular formula C16H17F4N5O and a molecular weight of 371.34 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(2-methylpiperidin-3-yl)-5-(trifluoromethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(2-methylpiperidin-3-yl)-5-(trifluoromethyl)triazole-4-carboxamide
PubChem CID120573418
Molecular FormulaC16H17F4N5O
Molecular Weight371.34 g/mol
Exact Mass371.14
IUPAC Name1-(2-fluorophenyl)-N-(2-methylpiperidin-3-yl)-5-(trifluoromethyl)triazole-4-carboxamide
SMILESCC1NCCCC1NC(=O)c1nnn(-c2ccccc2F)c1C(F)(F)F
InChIInChI=1S/C16H17F4N5O/c1-9-11(6-4-8-21-9)22-15(26)13-14(16(18,19)20)25(24-23-13)12-7-3-2-5-10(12)17/h2-3,5,7,9,11,21H,4,6,8H2,1H3,(H,22,26)
InChIKeyKDGWRGXTEXJMBX-UHFFFAOYSA-N
XLogP2.30
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.34
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chloro-4-fluorophenyl)-5-methyl-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide
CID 120576465
N-(2-amino-2-methylpropyl)-1-(2-fluorophenyl)-5-(trifluoromethyl)triazole-4-carboxamide
CID 119629360
5-methyl-N-(2-methylpiperidin-3-yl)-1-quinolin-8-yltriazole-4-carboxamide
CID 120576888
1-(2-fluorophenyl)-N-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)triazole-4-carboxamide;hydrochloride
CID 119448075
5-methyl-N-(2-methylpiperidin-3-yl)-1-quinolin-5-yltriazole-4-carboxamide;dihydrochloride
CID 120576885
3-[[1-(2-fluorophenyl)-5-(trifluoromethyl)triazole-4-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 119249216
N-(3-aminopropyl)-1-(2-fluorophenyl)-5-(trifluoromethyl)triazole-4-carboxamide;hydrochloride
CID 119407882
N-[(2R,3R)-2-methylpiperidin-3-yl]benzamide
CID 124511336
1-[1-(2-fluorophenyl)-5-(trifluoromethyl)triazole-4-carbonyl]piperidine-4-carboxylic acid
CID 119166084
[1-(2-fluorophenyl)-5-(trifluoromethyl)triazol-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561897
N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzamide
CID 79041877
2,3,4-trifluoro-N-(2-methylpiperidin-3-yl)benzamide
CID 79749777

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(2-methylpiperidin-3-yl)-5-(trifluoromethyl)triazole-4-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-(2-methylpiperidin-3-yl)-5-(trifluoromethyl)triazole-4-carboxamide (CID 120573418) is 1-(2-fluorophenyl)-N-(2-methylpiperidin-3-yl)-5-(trifluoromethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(2-methylpiperidin-3-yl)-5-(trifluoromethyl)triazole-4-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-(2-methylpiperidin-3-yl)-5-(trifluoromethyl)triazole-4-carboxamide is CC1NCCCC1NC(=O)c1nnn(-c2ccccc2F)c1C(F)(F)F.
What is the InChIKey of 1-(2-fluorophenyl)-N-(2-methylpiperidin-3-yl)-5-(trifluoromethyl)triazole-4-carboxamide?
The InChIKey is KDGWRGXTEXJMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F4N5O/c1-9-11(6-4-8-21-9)22-15(26)13-14(16(18,19)20)25(24-23-13)12-7-3-2-5-10(12)17/h2-3,5,7,9,11,21H,4,6,8H2,1H3,(H,22,26).
What are the key properties of 1-(2-fluorophenyl)-N-(2-methylpiperidin-3-yl)-5-(trifluoromethyl)triazole-4-carboxamide?
1-(2-fluorophenyl)-N-(2-methylpiperidin-3-yl)-5-(trifluoromethyl)triazole-4-carboxamide has a molecular weight of 371.34 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-(2-methylpiperidin-3-yl)-5-(trifluoromethyl)triazole-4-carboxamide is sourced from PubChem (CID 120573418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).