1-[4-[3-(piperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl]piperazin-1-yl]ethanone

C20H29N5O3 — CID 109074615

About 1-[4-[3-(piperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl]piperazin-1-yl]ethanone

1-[4-[3-(piperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl]piperazin-1-yl]ethanone (PubChem CID 109074615) has the molecular formula C20H29N5O3 and a molecular weight of 387.48 g/mol. Its IUPAC name is 1-[4-[3-(piperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[4-[3-(piperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl]piperazin-1-yl]ethanone
• PubChem CID: 109074615
• Molecular Formula: C20H29N5O3
• Molecular Weight: 387.48 g/mol
• Exact Mass: 387.23
• IUPAC Name: 1-[4-[3-(piperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl]piperazin-1-yl]ethanone
• SMILES: CC(=O)N1CCN(C(=O)c2nc(C(=O)N3CCCCC3)n3c2CCCC3)CC1
• InChI: InChI=1S/C20H29N5O3/c1-15(26)22-11-13-24(14-12-22)19(27)17-16-7-3-6-10-25(16)18(21-17)20(28)23-8-4-2-5-9-23/h2-14H2,1H3
• InChIKey: FPCMSVMKMZOHSP-UHFFFAOYSA-N
• XLogP: 1.15
• TPSA: 78.75 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.48
LogP ≤ 5	1.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(piperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl]piperazin-1-yl]ethanone?

The IUPAC name of 1-[4-[3-(piperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl]piperazin-1-yl]ethanone (CID 109074615) is 1-[4-[3-(piperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl]piperazin-1-yl]ethanone.

What is the SMILES notation for 1-[4-[3-(piperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl]piperazin-1-yl]ethanone?

The canonical SMILES for 1-[4-[3-(piperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2nc(C(=O)N3CCCCC3)n3c2CCCC3)CC1.

What is the InChIKey of 1-[4-[3-(piperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl]piperazin-1-yl]ethanone?

The InChIKey is FPCMSVMKMZOHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O3/c1-15(26)22-11-13-24(14-12-22)19(27)17-16-7-3-6-10-25(16)18(21-17)20(28)23-8-4-2-5-9-23/h2-14H2,1H3.

What are the key properties of 1-[4-[3-(piperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl]piperazin-1-yl]ethanone?

1-[4-[3-(piperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 387.48 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[3-(piperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 109074615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).