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

C24H33FN4O2 — CID 20915962

IUPAC1-ethyl-5-fluoro-N-[3-(3-methylpiperidin-1-yl)propyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
SMILESCCn1c(C(=O)NCCCN2CCCC(C)C2)c(N2CCCC2=O)c2cc(F)ccc21
InChIInChI=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)
InChIKeyOKWQEDIIQUXJQX-UHFFFAOYSA-N
MW428.55 g/mol
LogP3.78
Rot. Bonds7

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 Name1-ethyl-5-fluoro-N-[3-(3-methylpiperidin-1-yl)propyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
PubChem CID20915962
Molecular FormulaC24H33FN4O2
Molecular Weight428.55 g/mol
Exact Mass428.26
IUPAC Name1-ethyl-5-fluoro-N-[3-(3-methylpiperidin-1-yl)propyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
SMILESCCn1c(C(=O)NCCCN2CCCC(C)C2)c(N2CCCC2=O)c2cc(F)ccc21
InChIInChI=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)
InChIKeyOKWQEDIIQUXJQX-UHFFFAOYSA-N
XLogP3.78
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.55
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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).