5-methyl-1-piperidin-4-yl-N-(2,4,5-trifluorophenyl)triazole-4-carboxamide

C15H16F3N5O — CID 119708593

IUPAC5-methyl-1-piperidin-4-yl-N-(2,4,5-trifluorophenyl)triazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cc(F)c(F)cc2F)nnn1C1CCNCC1
InChIInChI=1S/C15H16F3N5O/c1-8-14(21-22-23(8)9-2-4-19-5-3-9)15(24)20-13-7-11(17)10(16)6-12(13)18/h6-7,9,19H,2-5H2,1H3,(H,20,24)
InChIKeyXXHOMHYZXNZVTR-UHFFFAOYSA-N
MW339.32 g/mol
LogP2.18
Rot. Bonds3

About 5-methyl-1-piperidin-4-yl-N-(2,4,5-trifluorophenyl)triazole-4-carboxamide

5-methyl-1-piperidin-4-yl-N-(2,4,5-trifluorophenyl)triazole-4-carboxamide (PubChem CID 119708593) has the molecular formula C15H16F3N5O and a molecular weight of 339.32 g/mol. Its IUPAC name is 5-methyl-1-piperidin-4-yl-N-(2,4,5-trifluorophenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-piperidin-4-yl-N-(2,4,5-trifluorophenyl)triazole-4-carboxamide
PubChem CID119708593
Molecular FormulaC15H16F3N5O
Molecular Weight339.32 g/mol
Exact Mass339.13
IUPAC Name5-methyl-1-piperidin-4-yl-N-(2,4,5-trifluorophenyl)triazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cc(F)c(F)cc2F)nnn1C1CCNCC1
InChIInChI=1S/C15H16F3N5O/c1-8-14(21-22-23(8)9-2-4-19-5-3-9)15(24)20-13-7-11(17)10(16)6-12(13)18/h6-7,9,19H,2-5H2,1H3,(H,20,24)
InChIKeyXXHOMHYZXNZVTR-UHFFFAOYSA-N
XLogP2.18
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-difluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119696872
N-(3-fluoro-4-methylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119674362
N-(4-fluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670658
N-(5-bromo-2-methylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119705929
N-(2-acetamido-4-chlorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119760851
N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119709833
N-(3-fluoro-4-methoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119705669
N-[5-chloro-2-(cyclopropylamino)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119856720
N-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119679218
5-methyl-N-(4-methylsulfanylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119694248
N-[(2,5-difluorophenyl)methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119709612
N-(4-chloro-2-ethoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119808220

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-piperidin-4-yl-N-(2,4,5-trifluorophenyl)triazole-4-carboxamide?
The IUPAC name of 5-methyl-1-piperidin-4-yl-N-(2,4,5-trifluorophenyl)triazole-4-carboxamide (CID 119708593) is 5-methyl-1-piperidin-4-yl-N-(2,4,5-trifluorophenyl)triazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-piperidin-4-yl-N-(2,4,5-trifluorophenyl)triazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-piperidin-4-yl-N-(2,4,5-trifluorophenyl)triazole-4-carboxamide is Cc1c(C(=O)Nc2cc(F)c(F)cc2F)nnn1C1CCNCC1.
What is the InChIKey of 5-methyl-1-piperidin-4-yl-N-(2,4,5-trifluorophenyl)triazole-4-carboxamide?
The InChIKey is XXHOMHYZXNZVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5O/c1-8-14(21-22-23(8)9-2-4-19-5-3-9)15(24)20-13-7-11(17)10(16)6-12(13)18/h6-7,9,19H,2-5H2,1H3,(H,20,24).
What are the key properties of 5-methyl-1-piperidin-4-yl-N-(2,4,5-trifluorophenyl)triazole-4-carboxamide?
5-methyl-1-piperidin-4-yl-N-(2,4,5-trifluorophenyl)triazole-4-carboxamide has a molecular weight of 339.32 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-piperidin-4-yl-N-(2,4,5-trifluorophenyl)triazole-4-carboxamide is sourced from PubChem (CID 119708593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).