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'}

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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).