3-[1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide

C22H32N6O2 — CID 45218930

About 3-[1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide

3-[1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide (PubChem CID 45218930) has the molecular formula C22H32N6O2 and a molecular weight of 412.54 g/mol. Its IUPAC name is 3-[1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide.

Molecular Properties

• Compound Name: 3-[1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
• PubChem CID: 45218930
• Molecular Formula: C22H32N6O2
• Molecular Weight: 412.54 g/mol
• Exact Mass: 412.26
• IUPAC Name: 3-[1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
• SMILES: Cc1nc(C)n(CC(=O)N2CCCC(CCC(=O)N(C)CCc3ccccn3)C2)n1
• InChI: InChI=1S/C22H32N6O2/c1-17-24-18(2)28(25-17)16-22(30)27-13-6-7-19(15-27)9-10-21(29)26(3)14-11-20-8-4-5-12-23-20/h4-5,8,12,19H,6-7,9-11,13-16H2,1-3H3
• InChIKey: DTVRDPNCQALKLQ-UHFFFAOYSA-N
• XLogP: 2.01
• TPSA: 84.22 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.54
LogP ≤ 5	2.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide?

The IUPAC name of 3-[1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide (CID 45218930) is 3-[1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide.

What is the SMILES notation for 3-[1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide?

The canonical SMILES for 3-[1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide is Cc1nc(C)n(CC(=O)N2CCCC(CCC(=O)N(C)CCc3ccccn3)C2)n1.

What is the InChIKey of 3-[1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide?

The InChIKey is DTVRDPNCQALKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O2/c1-17-24-18(2)28(25-17)16-22(30)27-13-6-7-19(15-27)9-10-21(29)26(3)14-11-20-8-4-5-12-23-20/h4-5,8,12,19H,6-7,9-11,13-16H2,1-3H3.

What are the key properties of 3-[1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide?

3-[1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide has a molecular weight of 412.54 g/mol, XLogP of 2.01, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide is sourced from PubChem (CID 45218930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).