1-[(7,8-dioxo-2,3-dihydro-[1,4]dioxino[2,3-f]indol-6-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide

C23H24N4O5 — CID 55813690

About 1-[(7,8-dioxo-2,3-dihydro-[1,4]dioxino[2,3-f]indol-6-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide

1-[(7,8-dioxo-2,3-dihydro-[1,4]dioxino[2,3-f]indol-6-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 55813690) has the molecular formula C23H24N4O5 and a molecular weight of 436.47 g/mol. Its IUPAC name is 1-[(7,8-dioxo-2,3-dihydro-[1,4]dioxino[2,3-f]indol-6-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(7,8-dioxo-2,3-dihydro-[1,4]dioxino[2,3-f]indol-6-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
• PubChem CID: 55813690
• Molecular Formula: C23H24N4O5
• Molecular Weight: 436.47 g/mol
• Exact Mass: 436.17
• IUPAC Name: 1-[(7,8-dioxo-2,3-dihydro-[1,4]dioxino[2,3-f]indol-6-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
• SMILES: Cc1cccc(NC(=O)C2CCCN(CN3C(=O)C(=O)c4cc5c(cc43)OCCO5)C2)n1
• InChI: InChI=1S/C23H24N4O5/c1-14-4-2-6-20(24-14)25-22(29)15-5-3-7-26(12-15)13-27-17-11-19-18(31-8-9-32-19)10-16(17)21(28)23(27)30/h2,4,6,10-11,15H,3,5,7-9,12-13H2,1H3,(H,24,25,29)
• InChIKey: JRKMFFDMNQPMNC-UHFFFAOYSA-N
• XLogP: 2.00
• TPSA: 101.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.47
LogP ≤ 5	2.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(7,8-dioxo-2,3-dihydro-[1,4]dioxino[2,3-f]indol-6-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?

The IUPAC name of 1-[(7,8-dioxo-2,3-dihydro-[1,4]dioxino[2,3-f]indol-6-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide (CID 55813690) is 1-[(7,8-dioxo-2,3-dihydro-[1,4]dioxino[2,3-f]indol-6-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide.

What is the SMILES notation for 1-[(7,8-dioxo-2,3-dihydro-[1,4]dioxino[2,3-f]indol-6-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?

The canonical SMILES for 1-[(7,8-dioxo-2,3-dihydro-[1,4]dioxino[2,3-f]indol-6-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide is Cc1cccc(NC(=O)C2CCCN(CN3C(=O)C(=O)c4cc5c(cc43)OCCO5)C2)n1.

What is the InChIKey of 1-[(7,8-dioxo-2,3-dihydro-[1,4]dioxino[2,3-f]indol-6-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?

The InChIKey is JRKMFFDMNQPMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O5/c1-14-4-2-6-20(24-14)25-22(29)15-5-3-7-26(12-15)13-27-17-11-19-18(31-8-9-32-19)10-16(17)21(28)23(27)30/h2,4,6,10-11,15H,3,5,7-9,12-13H2,1H3,(H,24,25,29).

What are the key properties of 1-[(7,8-dioxo-2,3-dihydro-[1,4]dioxino[2,3-f]indol-6-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?

1-[(7,8-dioxo-2,3-dihydro-[1,4]dioxino[2,3-f]indol-6-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 436.47 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(7,8-dioxo-2,3-dihydro-[1,4]dioxino[2,3-f]indol-6-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 55813690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).