3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-1-carboxamide

C19H24N6O2 — CID 74236414

About 3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-1-carboxamide

3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-1-carboxamide (PubChem CID 74236414) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: 3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-1-carboxamide
• PubChem CID: 74236414
• Molecular Formula: C19H24N6O2
• Molecular Weight: 368.44 g/mol
• Exact Mass: 368.20
• IUPAC Name: 3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-1-carboxamide
• SMILES: Cc1nc(C2CCCN(C(=O)Nc3ccc(N4CCCC4=O)cc3)C2)n[nH]1
• InChI: InChI=1S/C19H24N6O2/c1-13-20-18(23-22-13)14-4-2-10-24(12-14)19(27)21-15-6-8-16(9-7-15)25-11-3-5-17(25)26/h6-9,14H,2-5,10-12H2,1H3,(H,21,27)(H,20,22,23)
• InChIKey: OWFYSVNJAHFGTI-UHFFFAOYSA-N
• XLogP: 2.65
• TPSA: 94.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.44
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-1-carboxamide?

The IUPAC name of 3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-1-carboxamide (CID 74236414) is 3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-1-carboxamide.

What is the SMILES notation for 3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-1-carboxamide?

The canonical SMILES for 3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-1-carboxamide is Cc1nc(C2CCCN(C(=O)Nc3ccc(N4CCCC4=O)cc3)C2)n[nH]1.

What is the InChIKey of 3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-1-carboxamide?

The InChIKey is OWFYSVNJAHFGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-13-20-18(23-22-13)14-4-2-10-24(12-14)19(27)21-15-6-8-16(9-7-15)25-11-3-5-17(25)26/h6-9,14H,2-5,10-12H2,1H3,(H,21,27)(H,20,22,23).

What are the key properties of 3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-1-carboxamide?

3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-1-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 74236414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).