N-[2-(2-chlorophenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide

C17H22ClN5O — CID 119705388

IUPACN-[2-(2-chlorophenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1c(C(=O)NCCc2ccccc2Cl)nnn1C1CCNCC1
InChIInChI=1S/C17H22ClN5O/c1-12-16(21-22-23(12)14-7-9-19-10-8-14)17(24)20-11-6-13-4-2-3-5-15(13)18/h2-5,14,19H,6-11H2,1H3,(H,20,24)
InChIKeyCEWLCBAHZWLYKY-UHFFFAOYSA-N
MW347.85 g/mol
LogP2.14
Rot. Bonds5

About N-[2-(2-chlorophenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide

N-[2-(2-chlorophenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119705388) has the molecular formula C17H22ClN5O and a molecular weight of 347.85 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119705388
Molecular FormulaC17H22ClN5O
Molecular Weight347.85 g/mol
Exact Mass347.15
IUPAC NameN-[2-(2-chlorophenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1c(C(=O)NCCc2ccccc2Cl)nnn1C1CCNCC1
InChIInChI=1S/C17H22ClN5O/c1-12-16(21-22-23(12)14-7-9-19-10-8-14)17(24)20-11-6-13-4-2-3-5-15(13)18/h2-5,14,19H,6-11H2,1H3,(H,20,24)
InChIKeyCEWLCBAHZWLYKY-UHFFFAOYSA-N
XLogP2.14
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(2-chlorophenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide 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 N-[2-(2-chlorophenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[2-(2-chlorophenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide (CID 119705388) is N-[2-(2-chlorophenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[2-(2-chlorophenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide is Cc1c(C(=O)NCCc2ccccc2Cl)nnn1C1CCNCC1.
What is the InChIKey of N-[2-(2-chlorophenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is CEWLCBAHZWLYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN5O/c1-12-16(21-22-23(12)14-7-9-19-10-8-14)17(24)20-11-6-13-4-2-3-5-15(13)18/h2-5,14,19H,6-11H2,1H3,(H,20,24).
What are the key properties of N-[2-(2-chlorophenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
N-[2-(2-chlorophenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 347.85 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119705388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).