N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-carboxamide

C25H30N6O2 — CID 110231892

About N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-carboxamide

N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-carboxamide (PubChem CID 110231892) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-carboxamide
• PubChem CID: 110231892
• Molecular Formula: C25H30N6O2
• Molecular Weight: 446.56 g/mol
• Exact Mass: 446.24
• IUPAC Name: N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-carboxamide
• SMILES: CC(C)NC(=O)C1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)Cn2cncn2)C1
• InChI: InChI=1S/C25H30N6O2/c1-19(2)29-24(33)25(10-6-12-30(16-25)23(32)15-31-18-27-17-28-31)13-20-7-3-4-9-22(20)21-8-5-11-26-14-21/h3-5,7-9,11,14,17-19H,6,10,12-13,15-16H2,1-2H3,(H,29,33)
• InChIKey: VIEGILALKUJXST-UHFFFAOYSA-N
• XLogP: 2.72
• TPSA: 93.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.56
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-carboxamide?

The IUPAC name of N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-carboxamide (CID 110231892) is N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-carboxamide.

What is the SMILES notation for N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-carboxamide?

The canonical SMILES for N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-carboxamide is CC(C)NC(=O)C1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)Cn2cncn2)C1.

What is the InChIKey of N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-carboxamide?

The InChIKey is VIEGILALKUJXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2/c1-19(2)29-24(33)25(10-6-12-30(16-25)23(32)15-31-18-27-17-28-31)13-20-7-3-4-9-22(20)21-8-5-11-26-14-21/h3-5,7-9,11,14,17-19H,6,10,12-13,15-16H2,1-2H3,(H,29,33).

What are the key properties of N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-carboxamide?

N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-carboxamide has a molecular weight of 446.56 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 110231892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).