N-(2,2'-dioxospiro[1,4-dihydroquinoline-3,3'-1H-indole]-6'-yl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide

C29H25FN4O4 — CID 176914754

About N-(2,2'-dioxospiro[1,4-dihydroquinoline-3,3'-1H-indole]-6'-yl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide

N-(2,2'-dioxospiro[1,4-dihydroquinoline-3,3'-1H-indole]-6'-yl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide (PubChem CID 176914754) has the molecular formula C29H25FN4O4 and a molecular weight of 512.54 g/mol. Its IUPAC name is N-(2,2'-dioxospiro[1,4-dihydroquinoline-3,3'-1H-indole]-6'-yl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-(2,2'-dioxospiro[1,4-dihydroquinoline-3,3'-1H-indole]-6'-yl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide
• PubChem CID: 176914754
• Molecular Formula: C29H25FN4O4
• Molecular Weight: 512.54 g/mol
• Exact Mass: 512.19
• IUPAC Name: N-(2,2'-dioxospiro[1,4-dihydroquinoline-3,3'-1H-indole]-6'-yl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide
• SMILES: O=C(Nc1ccc2c(c1)NC(=O)C21Cc2ccccc2NC1=O)C1CCN(C(=O)c2cccc(F)c2)CC1
• InChI: InChI=1S/C29H25FN4O4/c30-20-6-3-5-18(14-20)26(36)34-12-10-17(11-13-34)25(35)31-21-8-9-22-24(15-21)33-28(38)29(22)16-19-4-1-2-7-23(19)32-27(29)37/h1-9,14-15,17H,10-13,16H2,(H,31,35)(H,32,37)(H,33,38)
• InChIKey: YFLQXHIWDMOFOI-UHFFFAOYSA-N
• XLogP: 3.70
• TPSA: 107.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.54
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2,2'-dioxospiro[1,4-dihydroquinoline-3,3'-1H-indole]-6'-yl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide?

The IUPAC name of N-(2,2'-dioxospiro[1,4-dihydroquinoline-3,3'-1H-indole]-6'-yl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide (CID 176914754) is N-(2,2'-dioxospiro[1,4-dihydroquinoline-3,3'-1H-indole]-6'-yl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide.

What is the SMILES notation for N-(2,2'-dioxospiro[1,4-dihydroquinoline-3,3'-1H-indole]-6'-yl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide?

The canonical SMILES for N-(2,2'-dioxospiro[1,4-dihydroquinoline-3,3'-1H-indole]-6'-yl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide is O=C(Nc1ccc2c(c1)NC(=O)C21Cc2ccccc2NC1=O)C1CCN(C(=O)c2cccc(F)c2)CC1.

What is the InChIKey of N-(2,2'-dioxospiro[1,4-dihydroquinoline-3,3'-1H-indole]-6'-yl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide?

The InChIKey is YFLQXHIWDMOFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25FN4O4/c30-20-6-3-5-18(14-20)26(36)34-12-10-17(11-13-34)25(35)31-21-8-9-22-24(15-21)33-28(38)29(22)16-19-4-1-2-7-23(19)32-27(29)37/h1-9,14-15,17H,10-13,16H2,(H,31,35)(H,32,37)(H,33,38).

What are the key properties of N-(2,2'-dioxospiro[1,4-dihydroquinoline-3,3'-1H-indole]-6'-yl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide?

N-(2,2'-dioxospiro[1,4-dihydroquinoline-3,3'-1H-indole]-6'-yl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide has a molecular weight of 512.54 g/mol, XLogP of 3.70, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,2'-dioxospiro[1,4-dihydroquinoline-3,3'-1H-indole]-6'-yl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 176914754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).