N-(2-benzylphenyl)-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidine-1-carboxamide

C24H27N5O — CID 154859060

About N-(2-benzylphenyl)-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidine-1-carboxamide

N-(2-benzylphenyl)-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidine-1-carboxamide (PubChem CID 154859060) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is N-(2-benzylphenyl)-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-(2-benzylphenyl)-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidine-1-carboxamide
• PubChem CID: 154859060
• Molecular Formula: C24H27N5O
• Molecular Weight: 401.51 g/mol
• Exact Mass: 401.22
• IUPAC Name: N-(2-benzylphenyl)-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidine-1-carboxamide
• SMILES: O=C(Nc1ccccc1Cc1ccccc1)N1CCCC(c2nnc3n2CCC3)C1
• InChI: InChI=1S/C24H27N5O/c30-24(25-21-12-5-4-10-19(21)16-18-8-2-1-3-9-18)28-14-6-11-20(17-28)23-27-26-22-13-7-15-29(22)23/h1-5,8-10,12,20H,6-7,11,13-17H2,(H,25,30)
• InChIKey: DZNHVKYMGQAERV-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 63.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.51
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidine-1-carboxamide?

The IUPAC name of N-(2-benzylphenyl)-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidine-1-carboxamide (CID 154859060) is N-(2-benzylphenyl)-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidine-1-carboxamide.

What is the SMILES notation for N-(2-benzylphenyl)-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidine-1-carboxamide?

The canonical SMILES for N-(2-benzylphenyl)-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidine-1-carboxamide is O=C(Nc1ccccc1Cc1ccccc1)N1CCCC(c2nnc3n2CCC3)C1.

What is the InChIKey of N-(2-benzylphenyl)-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidine-1-carboxamide?

The InChIKey is DZNHVKYMGQAERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O/c30-24(25-21-12-5-4-10-19(21)16-18-8-2-1-3-9-18)28-14-6-11-20(17-28)23-27-26-22-13-7-15-29(22)23/h1-5,8-10,12,20H,6-7,11,13-17H2,(H,25,30).

What are the key properties of N-(2-benzylphenyl)-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidine-1-carboxamide?

N-(2-benzylphenyl)-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidine-1-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-benzylphenyl)-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 154859060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).