N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide

C28H28N4O4 — CID 24812218

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide (PubChem CID 24812218) has the molecular formula C28H28N4O4 and a molecular weight of 484.56 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide
• PubChem CID: 24812218
• Molecular Formula: C28H28N4O4
• Molecular Weight: 484.56 g/mol
• Exact Mass: 484.21
• IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide
• SMILES: COc1cccc(-c2nc(C3CCCN(C(=O)Nc4ccc5c(c4)OCCO5)C3)n3ccccc23)c1
• InChI: InChI=1S/C28H28N4O4/c1-34-22-8-4-6-19(16-22)26-23-9-2-3-13-32(23)27(30-26)20-7-5-12-31(18-20)28(33)29-21-10-11-24-25(17-21)36-15-14-35-24/h2-4,6,8-11,13,16-17,20H,5,7,12,14-15,18H2,1H3,(H,29,33)
• InChIKey: QMFZLPOQWFQOQS-UHFFFAOYSA-N
• XLogP: 5.19
• TPSA: 77.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.56
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide?

The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide (CID 24812218) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide.

What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide?

The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide is COc1cccc(-c2nc(C3CCCN(C(=O)Nc4ccc5c(c4)OCCO5)C3)n3ccccc23)c1.

What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide?

The InChIKey is QMFZLPOQWFQOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O4/c1-34-22-8-4-6-19(16-22)26-23-9-2-3-13-32(23)27(30-26)20-7-5-12-31(18-20)28(33)29-21-10-11-24-25(17-21)36-15-14-35-24/h2-4,6,8-11,13,16-17,20H,5,7,12,14-15,18H2,1H3,(H,29,33).

What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide?

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide has a molecular weight of 484.56 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 24812218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).