3-[4-[4-(2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide

C25H30N4O2 — CID 11750460

IUPAC3-[4-[4-(2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide
SMILESNC(=O)c1ccc2[nH]cc(CCCCN3CCN(c4ccc5c(c4)CCO5)CC3)c2c1
InChIInChI=1S/C25H30N4O2/c26-25(30)19-4-6-23-22(16-19)20(17-27-23)3-1-2-9-28-10-12-29(13-11-28)21-5-7-24-18(15-21)8-14-31-24/h4-7,15-17,27H,1-3,8-14H2,(H2,26,30)
InChIKeyUMXKZXWFCNSZOX-UHFFFAOYSA-N
MW418.54 g/mol
LogP3.35
Rot. Bonds7

About 3-[4-[4-(2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide

3-[4-[4-(2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide (PubChem CID 11750460) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 3-[4-[4-(2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound Name3-[4-[4-(2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide
PubChem CID11750460
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name3-[4-[4-(2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide
SMILESNC(=O)c1ccc2[nH]cc(CCCCN3CCN(c4ccc5c(c4)CCO5)CC3)c2c1
InChIInChI=1S/C25H30N4O2/c26-25(30)19-4-6-23-22(16-19)20(17-27-23)3-1-2-9-28-10-12-29(13-11-28)21-5-7-24-18(15-21)8-14-31-24/h4-7,15-17,27H,1-3,8-14H2,(H2,26,30)
InChIKeyUMXKZXWFCNSZOX-UHFFFAOYSA-N
XLogP3.35
TPSA74.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[4-[4-(2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide with MolForge

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Related Compounds

Vilazodone
CID 6918314
Iptacopan
CID 90467622
2-benzofurancarboxamide, 5-(4-(4-(5-cyano-1H-indol-3-yl)butyl)-1-piperazinyl)-, hydrochloride (1:1)
CID 6918313
Del-22379
CID 11224574
(3Z)-5-(5-{[(2S)-2-amino-3-phenylpropyl]oxy}pyridin-3-yl)-3-(1H-pyrrol-2-ylmethylidene)-1,3-dihydro-2H-indol-2-one
CID 16731836
5-methoxy-3-[N-(4-(4-fluoro-phenyl)-4-oxo-butyl)-1,2,5,6-tetrahydro-pyridin-3-ylmethyl]-1H-indole
CID 9866050
iptacopan hydrochloride anhydrous
CID 117823351
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-2,3-dihydro-1H-indol-2-one
CID 10237631
5-{5-[(S)-2-Amino-3-(1h-Indol-3-Yl)-Propoxyl]-Pyridin-3-Yl}-3-[1-(1h-Pyrrol-2-Yl)-Meth-(Z)-Ylidene]-1,3-Dihydro-Indol-2-One
CID 10310919
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-2,3-dihydro-1H-indole-2,3-dione
CID 23647542
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-methyl-2,3-dihydro-1H-indol-2-one
CID 23647551
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-ethyl-2,3-dihydro-1H-indol-2-one
CID 23647552

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide?
The IUPAC name of 3-[4-[4-(2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide (CID 11750460) is 3-[4-[4-(2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide.
What is the SMILES notation for 3-[4-[4-(2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide?
The canonical SMILES for 3-[4-[4-(2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide is NC(=O)c1ccc2[nH]cc(CCCCN3CCN(c4ccc5c(c4)CCO5)CC3)c2c1.
What is the InChIKey of 3-[4-[4-(2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide?
The InChIKey is UMXKZXWFCNSZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c26-25(30)19-4-6-23-22(16-19)20(17-27-23)3-1-2-9-28-10-12-29(13-11-28)21-5-7-24-18(15-21)8-14-31-24/h4-7,15-17,27H,1-3,8-14H2,(H2,26,30).
What are the key properties of 3-[4-[4-(2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide?
3-[4-[4-(2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide has a molecular weight of 418.54 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 11750460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).