1-[(4-methoxyphenyl)methyl]-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]triazole-4-carboxamide

C25H31N5O2 — CID 26317306

IUPAC1-[(4-methoxyphenyl)methyl]-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]triazole-4-carboxamide
SMILESCOc1ccc(Cn2cc(C(=O)NCC3CCN(CCc4ccccc4)CC3)nn2)cc1
InChIInChI=1S/C25H31N5O2/c1-32-23-9-7-22(8-10-23)18-30-19-24(27-28-30)25(31)26-17-21-12-15-29(16-13-21)14-11-20-5-3-2-4-6-20/h2-10,19,21H,11-18H2,1H3,(H,26,31)
InChIKeyMVYNHWRDPWTVNZ-UHFFFAOYSA-N
MW433.56 g/mol
LogP3.02
Rot. Bonds9

About 1-[(4-methoxyphenyl)methyl]-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]triazole-4-carboxamide

1-[(4-methoxyphenyl)methyl]-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]triazole-4-carboxamide (PubChem CID 26317306) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]triazole-4-carboxamide
PubChem CID26317306
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC Name1-[(4-methoxyphenyl)methyl]-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]triazole-4-carboxamide
SMILESCOc1ccc(Cn2cc(C(=O)NCC3CCN(CCc4ccccc4)CC3)nn2)cc1
InChIInChI=1S/C25H31N5O2/c1-32-23-9-7-22(8-10-23)18-30-19-24(27-28-30)25(31)26-17-21-12-15-29(16-13-21)14-11-20-5-3-2-4-6-20/h2-10,19,21H,11-18H2,1H3,(H,26,31)
InChIKeyMVYNHWRDPWTVNZ-UHFFFAOYSA-N
XLogP3.02
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(4-methoxyphenyl)methyl]-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]triazole-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 1-[(4-methoxyphenyl)methyl]-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]triazole-4-carboxamide?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]triazole-4-carboxamide (CID 26317306) is 1-[(4-methoxyphenyl)methyl]-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]triazole-4-carboxamide?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]triazole-4-carboxamide is COc1ccc(Cn2cc(C(=O)NCC3CCN(CCc4ccccc4)CC3)nn2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]triazole-4-carboxamide?
The InChIKey is MVYNHWRDPWTVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-32-23-9-7-22(8-10-23)18-30-19-24(27-28-30)25(31)26-17-21-12-15-29(16-13-21)14-11-20-5-3-2-4-6-20/h2-10,19,21H,11-18H2,1H3,(H,26,31).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]triazole-4-carboxamide?
1-[(4-methoxyphenyl)methyl]-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]triazole-4-carboxamide has a molecular weight of 433.56 g/mol, XLogP of 3.02, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 26317306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).