3-(2-ethylpiperidine-1-carbonyl)-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide

C21H32N4O3 — CID 109075517

About 3-(2-ethylpiperidine-1-carbonyl)-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide

3-(2-ethylpiperidine-1-carbonyl)-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 109075517) has the molecular formula C21H32N4O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is 3-(2-ethylpiperidine-1-carbonyl)-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

• Compound Name: 3-(2-ethylpiperidine-1-carbonyl)-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
• PubChem CID: 109075517
• Molecular Formula: C21H32N4O3
• Molecular Weight: 388.51 g/mol
• Exact Mass: 388.25
• IUPAC Name: 3-(2-ethylpiperidine-1-carbonyl)-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
• SMILES: CCC1CCCCN1C(=O)c1nc(C(=O)NCC2CCCO2)c2n1CCCC2
• InChI: InChI=1S/C21H32N4O3/c1-2-15-8-3-5-11-24(15)21(27)19-23-18(17-10-4-6-12-25(17)19)20(26)22-14-16-9-7-13-28-16/h15-16H,2-14H2,1H3,(H,22,26)
• InChIKey: AANRVPGEMRTYRD-UHFFFAOYSA-N
• XLogP: 2.53
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.51
LogP ≤ 5	2.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylpiperidine-1-carbonyl)-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?

The IUPAC name of 3-(2-ethylpiperidine-1-carbonyl)-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide (CID 109075517) is 3-(2-ethylpiperidine-1-carbonyl)-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide.

What is the SMILES notation for 3-(2-ethylpiperidine-1-carbonyl)-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?

The canonical SMILES for 3-(2-ethylpiperidine-1-carbonyl)-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide is CCC1CCCCN1C(=O)c1nc(C(=O)NCC2CCCO2)c2n1CCCC2.

What is the InChIKey of 3-(2-ethylpiperidine-1-carbonyl)-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?

The InChIKey is AANRVPGEMRTYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O3/c1-2-15-8-3-5-11-24(15)21(27)19-23-18(17-10-4-6-12-25(17)19)20(26)22-14-16-9-7-13-28-16/h15-16H,2-14H2,1H3,(H,22,26).

What are the key properties of 3-(2-ethylpiperidine-1-carbonyl)-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?

3-(2-ethylpiperidine-1-carbonyl)-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 388.51 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-ethylpiperidine-1-carbonyl)-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 109075517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).