1-[(3R)-1-(2,2-diphenylethyl)piperidin-3-yl]-N-(3-hydroxypropyl)triazole-4-carboxamide

C25H31N5O2 — CID 26281259

IUPAC1-[(3R)-1-(2,2-diphenylethyl)piperidin-3-yl]-N-(3-hydroxypropyl)triazole-4-carboxamide
SMILESO=C(NCCCO)c1cn([C@@H]2CCCN(CC(c3ccccc3)c3ccccc3)C2)nn1
InChIInChI=1S/C25H31N5O2/c31-16-8-14-26-25(32)24-19-30(28-27-24)22-13-7-15-29(17-22)18-23(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-6,9-12,19,22-23,31H,7-8,13-18H2,(H,26,32)/t22-/m1/s1
InChIKeyGBNYCTDLONEONA-JOCHJYFZSA-N
MW433.56 g/mol
LogP2.86
Rot. Bonds9

About 1-[(3R)-1-(2,2-diphenylethyl)piperidin-3-yl]-N-(3-hydroxypropyl)triazole-4-carboxamide

1-[(3R)-1-(2,2-diphenylethyl)piperidin-3-yl]-N-(3-hydroxypropyl)triazole-4-carboxamide (PubChem CID 26281259) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 1-[(3R)-1-(2,2-diphenylethyl)piperidin-3-yl]-N-(3-hydroxypropyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-[(3R)-1-(2,2-diphenylethyl)piperidin-3-yl]-N-(3-hydroxypropyl)triazole-4-carboxamide
PubChem CID26281259
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC Name1-[(3R)-1-(2,2-diphenylethyl)piperidin-3-yl]-N-(3-hydroxypropyl)triazole-4-carboxamide
SMILESO=C(NCCCO)c1cn([C@@H]2CCCN(CC(c3ccccc3)c3ccccc3)C2)nn1
InChIInChI=1S/C25H31N5O2/c31-16-8-14-26-25(32)24-19-30(28-27-24)22-13-7-15-29(17-22)18-23(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-6,9-12,19,22-23,31H,7-8,13-18H2,(H,26,32)/t22-/m1/s1
InChIKeyGBNYCTDLONEONA-JOCHJYFZSA-N
XLogP2.86
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[(3R)-1-(2,2-diphenylethyl)piperidin-3-yl]-N-(3-hydroxypropyl)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

Related Compounds

N-(3-hydroxypropyl)-1-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]triazole-4-carboxamide
CID 26344410
N-(3-hydroxypropyl)-1-[(3S)-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 28811962
1-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-N-(3-hydroxypropyl)triazole-4-carboxamide
CID 45234972
N-(3-hydroxypropyl)-1-[(3R)-1-[(4-methylphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 26343328
N-(3-hydroxypropyl)-1-[(3S)-1-[(4-methylphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 26343330
1-[(3R)-1-[(4-ethylphenyl)methyl]piperidin-3-yl]-N-(3-hydroxypropyl)triazole-4-carboxamide
CID 26354413
1-[(3R)-1-benzylpiperidin-3-yl]-N-cyclopentyltriazole-4-carboxamide
CID 42541563
N-(3-hydroxypropyl)-1-[1-[(4-methoxy-3-methylphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 45245179
N-cyclopentyl-1-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]triazole-4-carboxamide
CID 26351057
N-(2-hydroxyethyl)-1-[1-[[4-(2-methylphenyl)phenyl]methyl]piperidin-3-yl]triazole-4-carboxamide
CID 45230197
N-(3-hydroxypropyl)-1-[1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-4-yl]triazole-4-carboxamide
CID 126464666
1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-yl]-N-(2-hydroxyethyl)triazole-4-carboxamide
CID 45250095

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-(2,2-diphenylethyl)piperidin-3-yl]-N-(3-hydroxypropyl)triazole-4-carboxamide?
The IUPAC name of 1-[(3R)-1-(2,2-diphenylethyl)piperidin-3-yl]-N-(3-hydroxypropyl)triazole-4-carboxamide (CID 26281259) is 1-[(3R)-1-(2,2-diphenylethyl)piperidin-3-yl]-N-(3-hydroxypropyl)triazole-4-carboxamide.
What is the SMILES notation for 1-[(3R)-1-(2,2-diphenylethyl)piperidin-3-yl]-N-(3-hydroxypropyl)triazole-4-carboxamide?
The canonical SMILES for 1-[(3R)-1-(2,2-diphenylethyl)piperidin-3-yl]-N-(3-hydroxypropyl)triazole-4-carboxamide is O=C(NCCCO)c1cn([C@@H]2CCCN(CC(c3ccccc3)c3ccccc3)C2)nn1.
What is the InChIKey of 1-[(3R)-1-(2,2-diphenylethyl)piperidin-3-yl]-N-(3-hydroxypropyl)triazole-4-carboxamide?
The InChIKey is GBNYCTDLONEONA-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H31N5O2/c31-16-8-14-26-25(32)24-19-30(28-27-24)22-13-7-15-29(17-22)18-23(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-6,9-12,19,22-23,31H,7-8,13-18H2,(H,26,32)/t22-/m1/s1.
What are the key properties of 1-[(3R)-1-(2,2-diphenylethyl)piperidin-3-yl]-N-(3-hydroxypropyl)triazole-4-carboxamide?
1-[(3R)-1-(2,2-diphenylethyl)piperidin-3-yl]-N-(3-hydroxypropyl)triazole-4-carboxamide has a molecular weight of 433.56 g/mol, XLogP of 2.86, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-(2,2-diphenylethyl)piperidin-3-yl]-N-(3-hydroxypropyl)triazole-4-carboxamide is sourced from PubChem (CID 26281259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).