2-[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)triazol-2-yl]-N-piperidin-1-ylacetamide

C21H20Cl3N5O — CID 59363248

IUPAC2-[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)triazol-2-yl]-N-piperidin-1-ylacetamide
SMILESO=C(Cn1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1)NN1CCCCC1
InChIInChI=1S/C21H20Cl3N5O/c22-15-6-4-14(5-7-15)20-21(17-9-8-16(23)12-18(17)24)27-29(26-20)13-19(30)25-28-10-2-1-3-11-28/h4-9,12H,1-3,10-11,13H2,(H,25,30)
InChIKeyAAGJBKHQEGVROY-UHFFFAOYSA-N
MW464.78 g/mol
LogP5.09
Rot. Bonds5

About 2-[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)triazol-2-yl]-N-piperidin-1-ylacetamide

2-[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)triazol-2-yl]-N-piperidin-1-ylacetamide (PubChem CID 59363248) has the molecular formula C21H20Cl3N5O and a molecular weight of 464.78 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)triazol-2-yl]-N-piperidin-1-ylacetamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)triazol-2-yl]-N-piperidin-1-ylacetamide
PubChem CID59363248
Molecular FormulaC21H20Cl3N5O
Molecular Weight464.78 g/mol
Exact Mass463.07
IUPAC Name2-[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)triazol-2-yl]-N-piperidin-1-ylacetamide
SMILESO=C(Cn1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1)NN1CCCCC1
InChIInChI=1S/C21H20Cl3N5O/c22-15-6-4-14(5-7-15)20-21(17-9-8-16(23)12-18(17)24)27-29(26-20)13-19(30)25-28-10-2-1-3-11-28/h4-9,12H,1-3,10-11,13H2,(H,25,30)
InChIKeyAAGJBKHQEGVROY-UHFFFAOYSA-N
XLogP5.09
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.78
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)triazol-2-yl]-N-piperidin-1-ylacetamide?
The IUPAC name of 2-[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)triazol-2-yl]-N-piperidin-1-ylacetamide (CID 59363248) is 2-[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)triazol-2-yl]-N-piperidin-1-ylacetamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)triazol-2-yl]-N-piperidin-1-ylacetamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)triazol-2-yl]-N-piperidin-1-ylacetamide is O=C(Cn1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1)NN1CCCCC1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)triazol-2-yl]-N-piperidin-1-ylacetamide?
The InChIKey is AAGJBKHQEGVROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl3N5O/c22-15-6-4-14(5-7-15)20-21(17-9-8-16(23)12-18(17)24)27-29(26-20)13-19(30)25-28-10-2-1-3-11-28/h4-9,12H,1-3,10-11,13H2,(H,25,30).
What are the key properties of 2-[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)triazol-2-yl]-N-piperidin-1-ylacetamide?
2-[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)triazol-2-yl]-N-piperidin-1-ylacetamide has a molecular weight of 464.78 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)triazol-2-yl]-N-piperidin-1-ylacetamide is sourced from PubChem (CID 59363248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).