3-[4-(4-phenylpiperazin-1-yl)butyl]-1H-indole-5-carboxamide

C23H28N4O — CID 11303411

IUPAC3-[4-(4-phenylpiperazin-1-yl)butyl]-1H-indole-5-carboxamide
SMILESNC(=O)c1ccc2[nH]cc(CCCCN3CCN(c4ccccc4)CC3)c2c1
InChIInChI=1S/C23H28N4O/c24-23(28)18-9-10-22-21(16-18)19(17-25-22)6-4-5-11-26-12-14-27(15-13-26)20-7-2-1-3-8-20/h1-3,7-10,16-17,25H,4-6,11-15H2,(H2,24,28)
InChIKeyRAUAAMMVLJHXCC-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.41
Rot. Bonds7

About 3-[4-(4-phenylpiperazin-1-yl)butyl]-1H-indole-5-carboxamide

3-[4-(4-phenylpiperazin-1-yl)butyl]-1H-indole-5-carboxamide (PubChem CID 11303411) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 3-[4-(4-phenylpiperazin-1-yl)butyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound Name3-[4-(4-phenylpiperazin-1-yl)butyl]-1H-indole-5-carboxamide
PubChem CID11303411
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name3-[4-(4-phenylpiperazin-1-yl)butyl]-1H-indole-5-carboxamide
SMILESNC(=O)c1ccc2[nH]cc(CCCCN3CCN(c4ccccc4)CC3)c2c1
InChIInChI=1S/C23H28N4O/c24-23(28)18-9-10-22-21(16-18)19(17-25-22)6-4-5-11-26-12-14-27(15-13-26)20-7-2-1-3-8-20/h1-3,7-10,16-17,25H,4-6,11-15H2,(H2,24,28)
InChIKeyRAUAAMMVLJHXCC-UHFFFAOYSA-N
XLogP3.41
TPSA65.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 3-[4-(4-phenylpiperazin-1-yl)butyl]-1H-indole-5-carboxamide?
The IUPAC name of 3-[4-(4-phenylpiperazin-1-yl)butyl]-1H-indole-5-carboxamide (CID 11303411) is 3-[4-(4-phenylpiperazin-1-yl)butyl]-1H-indole-5-carboxamide.
What is the SMILES notation for 3-[4-(4-phenylpiperazin-1-yl)butyl]-1H-indole-5-carboxamide?
The canonical SMILES for 3-[4-(4-phenylpiperazin-1-yl)butyl]-1H-indole-5-carboxamide is NC(=O)c1ccc2[nH]cc(CCCCN3CCN(c4ccccc4)CC3)c2c1.
What is the InChIKey of 3-[4-(4-phenylpiperazin-1-yl)butyl]-1H-indole-5-carboxamide?
The InChIKey is RAUAAMMVLJHXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c24-23(28)18-9-10-22-21(16-18)19(17-25-22)6-4-5-11-26-12-14-27(15-13-26)20-7-2-1-3-8-20/h1-3,7-10,16-17,25H,4-6,11-15H2,(H2,24,28).
What are the key properties of 3-[4-(4-phenylpiperazin-1-yl)butyl]-1H-indole-5-carboxamide?
3-[4-(4-phenylpiperazin-1-yl)butyl]-1H-indole-5-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-phenylpiperazin-1-yl)butyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 11303411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).