1-ethyl-5-fluoro-N-[3-(3-methylpiperidin-1-yl)propyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide

C24H33FN4O2 — CID 20915962

About 1-ethyl-5-fluoro-N-[3-(3-methylpiperidin-1-yl)propyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide

1-ethyl-5-fluoro-N-[3-(3-methylpiperidin-1-yl)propyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide (PubChem CID 20915962) has the molecular formula C24H33FN4O2 and a molecular weight of 428.55 g/mol. Its IUPAC name is 1-ethyl-5-fluoro-N-[3-(3-methylpiperidin-1-yl)propyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide.

Molecular Properties

• Compound Name: 1-ethyl-5-fluoro-N-[3-(3-methylpiperidin-1-yl)propyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
• PubChem CID: 20915962
• Molecular Formula: C24H33FN4O2
• Molecular Weight: 428.55 g/mol
• Exact Mass: 428.26
• IUPAC Name: 1-ethyl-5-fluoro-N-[3-(3-methylpiperidin-1-yl)propyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
• SMILES: CCn1c(C(=O)NCCCN2CCCC(C)C2)c(N2CCCC2=O)c2cc(F)ccc21
• InChI: InChI=1S/C24H33FN4O2/c1-3-28-20-10-9-18(25)15-19(20)22(29-14-5-8-21(29)30)23(28)24(31)26-11-6-13-27-12-4-7-17(2)16-27/h9-10,15,17H,3-8,11-14,16H2,1-2H3,(H,26,31)
• InChIKey: OKWQEDIIQUXJQX-UHFFFAOYSA-N
• XLogP: 3.78
• TPSA: 57.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.55
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-fluoro-N-[3-(3-methylpiperidin-1-yl)propyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide?

The IUPAC name of 1-ethyl-5-fluoro-N-[3-(3-methylpiperidin-1-yl)propyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide (CID 20915962) is 1-ethyl-5-fluoro-N-[3-(3-methylpiperidin-1-yl)propyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide.

What is the SMILES notation for 1-ethyl-5-fluoro-N-[3-(3-methylpiperidin-1-yl)propyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide?

The canonical SMILES for 1-ethyl-5-fluoro-N-[3-(3-methylpiperidin-1-yl)propyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide is CCn1c(C(=O)NCCCN2CCCC(C)C2)c(N2CCCC2=O)c2cc(F)ccc21.

What is the InChIKey of 1-ethyl-5-fluoro-N-[3-(3-methylpiperidin-1-yl)propyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide?

The InChIKey is OKWQEDIIQUXJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33FN4O2/c1-3-28-20-10-9-18(25)15-19(20)22(29-14-5-8-21(29)30)23(28)24(31)26-11-6-13-27-12-4-7-17(2)16-27/h9-10,15,17H,3-8,11-14,16H2,1-2H3,(H,26,31).

What are the key properties of 1-ethyl-5-fluoro-N-[3-(3-methylpiperidin-1-yl)propyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide?

1-ethyl-5-fluoro-N-[3-(3-methylpiperidin-1-yl)propyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide has a molecular weight of 428.55 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-5-fluoro-N-[3-(3-methylpiperidin-1-yl)propyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide is sourced from PubChem (CID 20915962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).