N-[2-(2-methoxyphenyl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide

C18H25N5O2 — CID 71894048

IUPACN-[2-(2-methoxyphenyl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESCOc1ccccc1CCNC(=O)N1CCCC(c2nncn2C)C1
InChIInChI=1S/C18H25N5O2/c1-22-13-20-21-17(22)15-7-5-11-23(12-15)18(24)19-10-9-14-6-3-4-8-16(14)25-2/h3-4,6,8,13,15H,5,7,9-12H2,1-2H3,(H,19,24)
InChIKeyXGLRWIYPNRBXHK-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.96
Rot. Bonds5

About N-[2-(2-methoxyphenyl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide

N-[2-(2-methoxyphenyl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide (PubChem CID 71894048) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
PubChem CID71894048
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESCOc1ccccc1CCNC(=O)N1CCCC(c2nncn2C)C1
InChIInChI=1S/C18H25N5O2/c1-22-13-20-21-17(22)15-7-5-11-23(12-15)18(24)19-10-9-14-6-3-4-8-16(14)25-2/h3-4,6,8,13,15H,5,7,9-12H2,1-2H3,(H,19,24)
InChIKeyXGLRWIYPNRBXHK-UHFFFAOYSA-N
XLogP1.96
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(2-methoxyphenyl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-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-methoxyphenyl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide (CID 71894048) is N-[2-(2-methoxyphenyl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide is COc1ccccc1CCNC(=O)N1CCCC(c2nncn2C)C1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The InChIKey is XGLRWIYPNRBXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-22-13-20-21-17(22)15-7-5-11-23(12-15)18(24)19-10-9-14-6-3-4-8-16(14)25-2/h3-4,6,8,13,15H,5,7,9-12H2,1-2H3,(H,19,24).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
N-[2-(2-methoxyphenyl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 71894048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).