5-benzyl-N-(1-methylpiperidin-4-yl)-1-phenyl-1,2,4-triazole-3-carboxamide

C22H25N5O — CID 42692844

IUPAC5-benzyl-N-(1-methylpiperidin-4-yl)-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESCN1CCC(NC(=O)c2nc(Cc3ccccc3)n(-c3ccccc3)n2)CC1
InChIInChI=1S/C22H25N5O/c1-26-14-12-18(13-15-26)23-22(28)21-24-20(16-17-8-4-2-5-9-17)27(25-21)19-10-6-3-7-11-19/h2-11,18H,12-16H2,1H3,(H,23,28)
InChIKeyJBVLGNUCIJGOQE-UHFFFAOYSA-N
MW375.48 g/mol
LogP2.68
Rot. Bonds5

About 5-benzyl-N-(1-methylpiperidin-4-yl)-1-phenyl-1,2,4-triazole-3-carboxamide

5-benzyl-N-(1-methylpiperidin-4-yl)-1-phenyl-1,2,4-triazole-3-carboxamide (PubChem CID 42692844) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 5-benzyl-N-(1-methylpiperidin-4-yl)-1-phenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-benzyl-N-(1-methylpiperidin-4-yl)-1-phenyl-1,2,4-triazole-3-carboxamide
PubChem CID42692844
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name5-benzyl-N-(1-methylpiperidin-4-yl)-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESCN1CCC(NC(=O)c2nc(Cc3ccccc3)n(-c3ccccc3)n2)CC1
InChIInChI=1S/C22H25N5O/c1-26-14-12-18(13-15-26)23-22(28)21-24-20(16-17-8-4-2-5-9-17)27(25-21)19-10-6-3-7-11-19/h2-11,18H,12-16H2,1H3,(H,23,28)
InChIKeyJBVLGNUCIJGOQE-UHFFFAOYSA-N
XLogP2.68
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-(1-methylpiperidin-4-yl)-1-phenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-benzyl-N-(1-methylpiperidin-4-yl)-1-phenyl-1,2,4-triazole-3-carboxamide (CID 42692844) is 5-benzyl-N-(1-methylpiperidin-4-yl)-1-phenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-benzyl-N-(1-methylpiperidin-4-yl)-1-phenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-benzyl-N-(1-methylpiperidin-4-yl)-1-phenyl-1,2,4-triazole-3-carboxamide is CN1CCC(NC(=O)c2nc(Cc3ccccc3)n(-c3ccccc3)n2)CC1.
What is the InChIKey of 5-benzyl-N-(1-methylpiperidin-4-yl)-1-phenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is JBVLGNUCIJGOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-26-14-12-18(13-15-26)23-22(28)21-24-20(16-17-8-4-2-5-9-17)27(25-21)19-10-6-3-7-11-19/h2-11,18H,12-16H2,1H3,(H,23,28).
What are the key properties of 5-benzyl-N-(1-methylpiperidin-4-yl)-1-phenyl-1,2,4-triazole-3-carboxamide?
5-benzyl-N-(1-methylpiperidin-4-yl)-1-phenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 375.48 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-(1-methylpiperidin-4-yl)-1-phenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 42692844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).