2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide

C26H26N6O — CID 134154511

IUPAC2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide
SMILESO=C(Cn1nnc(-c2ccncc2)c1-c1ccccc1)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C26H26N6O/c33-24(28-22-9-11-23(12-10-22)31-17-5-2-6-18-31)19-32-26(21-7-3-1-4-8-21)25(29-30-32)20-13-15-27-16-14-20/h1,3-4,7-16H,2,5-6,17-19H2,(H,28,33)
InChIKeyBCXZIOXUUGKUBX-UHFFFAOYSA-N
MW438.54 g/mol
LogP4.64
Rot. Bonds6

About 2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide

2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide (PubChem CID 134154511) has the molecular formula C26H26N6O and a molecular weight of 438.54 g/mol. Its IUPAC name is 2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide
PubChem CID134154511
Molecular FormulaC26H26N6O
Molecular Weight438.54 g/mol
Exact Mass438.22
IUPAC Name2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide
SMILESO=C(Cn1nnc(-c2ccncc2)c1-c1ccccc1)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C26H26N6O/c33-24(28-22-9-11-23(12-10-22)31-17-5-2-6-18-31)19-32-26(21-7-3-1-4-8-21)25(29-30-32)20-13-15-27-16-14-20/h1,3-4,7-16H,2,5-6,17-19H2,(H,28,33)
InChIKeyBCXZIOXUUGKUBX-UHFFFAOYSA-N
XLogP4.64
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.54
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide (CID 134154511) is 2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide is O=C(Cn1nnc(-c2ccncc2)c1-c1ccccc1)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide?
The InChIKey is BCXZIOXUUGKUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O/c33-24(28-22-9-11-23(12-10-22)31-17-5-2-6-18-31)19-32-26(21-7-3-1-4-8-21)25(29-30-32)20-13-15-27-16-14-20/h1,3-4,7-16H,2,5-6,17-19H2,(H,28,33).
What are the key properties of 2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide?
2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide has a molecular weight of 438.54 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 134154511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).