5-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-1-piperidin-4-yltriazole-4-carboxamide

C15H25F3N6O — CID 119855320

IUPAC5-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1c(C(=O)NCCCN(C)CC(F)(F)F)nnn1C1CCNCC1
InChIInChI=1S/C15H25F3N6O/c1-11-13(21-22-24(11)12-4-7-19-8-5-12)14(25)20-6-3-9-23(2)10-15(16,17)18/h12,19H,3-10H2,1-2H3,(H,20,25)
InChIKeyUWDHICJXONPQPX-UHFFFAOYSA-N
MW362.40 g/mol
LogP1.13
Rot. Bonds7

About 5-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-1-piperidin-4-yltriazole-4-carboxamide

5-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119855320) has the molecular formula C15H25F3N6O and a molecular weight of 362.40 g/mol. Its IUPAC name is 5-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119855320
Molecular FormulaC15H25F3N6O
Molecular Weight362.40 g/mol
Exact Mass362.20
IUPAC Name5-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1c(C(=O)NCCCN(C)CC(F)(F)F)nnn1C1CCNCC1
InChIInChI=1S/C15H25F3N6O/c1-11-13(21-22-24(11)12-4-7-19-8-5-12)14(25)20-6-3-9-23(2)10-15(16,17)18/h12,19H,3-10H2,1-2H3,(H,20,25)
InChIKeyUWDHICJXONPQPX-UHFFFAOYSA-N
XLogP1.13
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-1-piperidin-4-yltriazole-4-carboxamide (CID 119855320) is 5-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-1-piperidin-4-yltriazole-4-carboxamide is Cc1c(C(=O)NCCCN(C)CC(F)(F)F)nnn1C1CCNCC1.
What is the InChIKey of 5-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is UWDHICJXONPQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N6O/c1-11-13(21-22-24(11)12-4-7-19-8-5-12)14(25)20-6-3-9-23(2)10-15(16,17)18/h12,19H,3-10H2,1-2H3,(H,20,25).
What are the key properties of 5-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-1-piperidin-4-yltriazole-4-carboxamide?
5-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 362.40 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119855320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).