5-[4-[4-(5-fluoro-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide

C25H27FN4O2 — CID 11316467

IUPAC5-[4-[4-(5-fluoro-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide
SMILESNC(=O)c1cc2cc(N3CCN(CCCCc4c[nH]c5ccc(F)cc45)CC3)ccc2o1
InChIInChI=1S/C25H27FN4O2/c26-19-4-6-22-21(15-19)17(16-28-22)3-1-2-8-29-9-11-30(12-10-29)20-5-7-23-18(13-20)14-24(32-23)25(27)31/h4-7,13-16,28H,1-3,8-12H2,(H2,27,31)
InChIKeyGGTNSGOMXSGNLN-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.30
Rot. Bonds7

About 5-[4-[4-(5-fluoro-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide

5-[4-[4-(5-fluoro-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide (PubChem CID 11316467) has the molecular formula C25H27FN4O2 and a molecular weight of 434.52 g/mol. Its IUPAC name is 5-[4-[4-(5-fluoro-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-[4-[4-(5-fluoro-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide
PubChem CID11316467
Molecular FormulaC25H27FN4O2
Molecular Weight434.52 g/mol
Exact Mass434.21
IUPAC Name5-[4-[4-(5-fluoro-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide
SMILESNC(=O)c1cc2cc(N3CCN(CCCCc4c[nH]c5ccc(F)cc45)CC3)ccc2o1
InChIInChI=1S/C25H27FN4O2/c26-19-4-6-22-21(15-19)17(16-28-22)3-1-2-8-29-9-11-30(12-10-29)20-5-7-23-18(13-20)14-24(32-23)25(27)31/h4-7,13-16,28H,1-3,8-12H2,(H2,27,31)
InChIKeyGGTNSGOMXSGNLN-UHFFFAOYSA-N
XLogP4.30
TPSA78.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[4-[4-(5-fluoro-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

Vilazodone
CID 6918314
2-benzofurancarboxamide, 5-(4-(4-(5-cyano-1H-indol-3-yl)butyl)-1-piperazinyl)-, hydrochloride (1:1)
CID 6918313
Adozelesin
CID 6917987
Adolezesin
CID 357194
3-[4-(4-Chroman-6-yl-piperazin-1-yl)-butyl]-1H-indole-5-carboxylic acid amide
CID 10410574
6-fluoro-3-(1-(2-(7-methoxybenzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 11486099
3-{4-[4-(2,3-Dihydro-benzofuran-5-yl)-piperazin-1-yl]-butyl}-1H-indole-5-carboxylic acid amide
CID 11750460
3-(1-Benzofuran-3-yl)-4-(5-fluoro-1-methylindol-3-yl)pyrrole-2,5-dione
CID 16741551
(6S)-6-benzyl-1-(1H-indol-6-ylmethyl)-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one
CID 122600573
1-(4-benzoylpiperazin-1-yl)-2-(4-ethoxy-1H-indol-3-yl)ethane-1,2-dione
CID 506248
5-acetamido-N-[2-(8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl)-1H-indol-5-yl]-1-benzofuran-2-carboxamide
CID 10460361
3-{4-[4-(2-Cyano-benzofuran-5-yl)-piperazin-1-yl]-butyl}-1H-indole-5-carbonitrile
CID 11441638

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(5-fluoro-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-[4-[4-(5-fluoro-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide (CID 11316467) is 5-[4-[4-(5-fluoro-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-[4-[4-(5-fluoro-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-[4-[4-(5-fluoro-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide is NC(=O)c1cc2cc(N3CCN(CCCCc4c[nH]c5ccc(F)cc45)CC3)ccc2o1.
What is the InChIKey of 5-[4-[4-(5-fluoro-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide?
The InChIKey is GGTNSGOMXSGNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O2/c26-19-4-6-22-21(15-19)17(16-28-22)3-1-2-8-29-9-11-30(12-10-29)20-5-7-23-18(13-20)14-24(32-23)25(27)31/h4-7,13-16,28H,1-3,8-12H2,(H2,27,31).
What are the key properties of 5-[4-[4-(5-fluoro-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide?
5-[4-[4-(5-fluoro-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide has a molecular weight of 434.52 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(5-fluoro-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 11316467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).