3-ethyl-3-[4-(4-phenylpiperazin-1-yl)butyl]-1H-indol-2-one

C24H31N3O — CID 24854368

IUPAC3-ethyl-3-[4-(4-phenylpiperazin-1-yl)butyl]-1H-indol-2-one
SMILESCCC1(CCCCN2CCN(c3ccccc3)CC2)C(=O)Nc2ccccc21
InChIInChI=1S/C24H31N3O/c1-2-24(21-12-6-7-13-22(21)25-23(24)28)14-8-9-15-26-16-18-27(19-17-26)20-10-4-3-5-11-20/h3-7,10-13H,2,8-9,14-19H2,1H3,(H,25,28)
InChIKeyRZMXKHIEINISHR-UHFFFAOYSA-N
MW377.53 g/mol
LogP4.28
Rot. Bonds7

About 3-ethyl-3-[4-(4-phenylpiperazin-1-yl)butyl]-1H-indol-2-one

3-ethyl-3-[4-(4-phenylpiperazin-1-yl)butyl]-1H-indol-2-one (PubChem CID 24854368) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is 3-ethyl-3-[4-(4-phenylpiperazin-1-yl)butyl]-1H-indol-2-one.

Molecular Properties

Compound Name3-ethyl-3-[4-(4-phenylpiperazin-1-yl)butyl]-1H-indol-2-one
PubChem CID24854368
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC Name3-ethyl-3-[4-(4-phenylpiperazin-1-yl)butyl]-1H-indol-2-one
SMILESCCC1(CCCCN2CCN(c3ccccc3)CC2)C(=O)Nc2ccccc21
InChIInChI=1S/C24H31N3O/c1-2-24(21-12-6-7-13-22(21)25-23(24)28)14-8-9-15-26-16-18-27(19-17-26)20-10-4-3-5-11-20/h3-7,10-13H,2,8-9,14-19H2,1H3,(H,25,28)
InChIKeyRZMXKHIEINISHR-UHFFFAOYSA-N
XLogP4.28
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 54.28
H-Bond Donors ≤ 51
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-ethyl-3-[4-(4-phenylpiperazin-1-yl)butyl]-1H-indol-2-one?
The IUPAC name of 3-ethyl-3-[4-(4-phenylpiperazin-1-yl)butyl]-1H-indol-2-one (CID 24854368) is 3-ethyl-3-[4-(4-phenylpiperazin-1-yl)butyl]-1H-indol-2-one.
What is the SMILES notation for 3-ethyl-3-[4-(4-phenylpiperazin-1-yl)butyl]-1H-indol-2-one?
The canonical SMILES for 3-ethyl-3-[4-(4-phenylpiperazin-1-yl)butyl]-1H-indol-2-one is CCC1(CCCCN2CCN(c3ccccc3)CC2)C(=O)Nc2ccccc21.
What is the InChIKey of 3-ethyl-3-[4-(4-phenylpiperazin-1-yl)butyl]-1H-indol-2-one?
The InChIKey is RZMXKHIEINISHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O/c1-2-24(21-12-6-7-13-22(21)25-23(24)28)14-8-9-15-26-16-18-27(19-17-26)20-10-4-3-5-11-20/h3-7,10-13H,2,8-9,14-19H2,1H3,(H,25,28).
What are the key properties of 3-ethyl-3-[4-(4-phenylpiperazin-1-yl)butyl]-1H-indol-2-one?
3-ethyl-3-[4-(4-phenylpiperazin-1-yl)butyl]-1H-indol-2-one has a molecular weight of 377.53 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[4-(4-phenylpiperazin-1-yl)butyl]-1H-indol-2-one is sourced from PubChem (CID 24854368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).