5-methyl-1-piperidin-4-yl-N-[2-(3,3,3-trifluoropropyl)phenyl]triazole-4-carboxamide;hydrochloride

C18H23ClF3N5O — CID 119819418

IUPAC5-methyl-1-piperidin-4-yl-N-[2-(3,3,3-trifluoropropyl)phenyl]triazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)Nc2ccccc2CCC(F)(F)F)nnn1C1CCNCC1.Cl
InChIInChI=1S/C18H22F3N5O.ClH/c1-12-16(24-25-26(12)14-7-10-22-11-8-14)17(27)23-15-5-3-2-4-13(15)6-9-18(19,20)21;/h2-5,14,22H,6-11H2,1H3,(H,23,27);1H
InChIKeyRMLXOOMUTBKFOQ-UHFFFAOYSA-N
MW417.86 g/mol
LogP3.68
Rot. Bonds5

About 5-methyl-1-piperidin-4-yl-N-[2-(3,3,3-trifluoropropyl)phenyl]triazole-4-carboxamide;hydrochloride

5-methyl-1-piperidin-4-yl-N-[2-(3,3,3-trifluoropropyl)phenyl]triazole-4-carboxamide;hydrochloride (PubChem CID 119819418) has the molecular formula C18H23ClF3N5O and a molecular weight of 417.86 g/mol. Its IUPAC name is 5-methyl-1-piperidin-4-yl-N-[2-(3,3,3-trifluoropropyl)phenyl]triazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-methyl-1-piperidin-4-yl-N-[2-(3,3,3-trifluoropropyl)phenyl]triazole-4-carboxamide;hydrochloride
PubChem CID119819418
Molecular FormulaC18H23ClF3N5O
Molecular Weight417.86 g/mol
Exact Mass417.15
IUPAC Name5-methyl-1-piperidin-4-yl-N-[2-(3,3,3-trifluoropropyl)phenyl]triazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)Nc2ccccc2CCC(F)(F)F)nnn1C1CCNCC1.Cl
InChIInChI=1S/C18H22F3N5O.ClH/c1-12-16(24-25-26(12)14-7-10-22-11-8-14)17(27)23-15-5-3-2-4-13(15)6-9-18(19,20)21;/h2-5,14,22H,6-11H2,1H3,(H,23,27);1H
InChIKeyRMLXOOMUTBKFOQ-UHFFFAOYSA-N
XLogP3.68
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.86
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-methyl-1-piperidin-4-yl-N-[2-(3,3,3-trifluoropropyl)phenyl]triazole-4-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-piperidin-4-yl-N-[2-(3,3,3-trifluoropropyl)phenyl]triazole-4-carboxamide;hydrochloride?
The IUPAC name of 5-methyl-1-piperidin-4-yl-N-[2-(3,3,3-trifluoropropyl)phenyl]triazole-4-carboxamide;hydrochloride (CID 119819418) is 5-methyl-1-piperidin-4-yl-N-[2-(3,3,3-trifluoropropyl)phenyl]triazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 5-methyl-1-piperidin-4-yl-N-[2-(3,3,3-trifluoropropyl)phenyl]triazole-4-carboxamide;hydrochloride?
The canonical SMILES for 5-methyl-1-piperidin-4-yl-N-[2-(3,3,3-trifluoropropyl)phenyl]triazole-4-carboxamide;hydrochloride is Cc1c(C(=O)Nc2ccccc2CCC(F)(F)F)nnn1C1CCNCC1.Cl.
What is the InChIKey of 5-methyl-1-piperidin-4-yl-N-[2-(3,3,3-trifluoropropyl)phenyl]triazole-4-carboxamide;hydrochloride?
The InChIKey is RMLXOOMUTBKFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N5O.ClH/c1-12-16(24-25-26(12)14-7-10-22-11-8-14)17(27)23-15-5-3-2-4-13(15)6-9-18(19,20)21;/h2-5,14,22H,6-11H2,1H3,(H,23,27);1H.
What are the key properties of 5-methyl-1-piperidin-4-yl-N-[2-(3,3,3-trifluoropropyl)phenyl]triazole-4-carboxamide;hydrochloride?
5-methyl-1-piperidin-4-yl-N-[2-(3,3,3-trifluoropropyl)phenyl]triazole-4-carboxamide;hydrochloride has a molecular weight of 417.86 g/mol, XLogP of 3.68, 5 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-(3,3,3-trifluoropropyl)phenyl]triazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119819418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).