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

C23H30N4O — CID 54758295

IUPAC3-ethyl-3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1H-indol-2-one
SMILESCCC1(CCCCN2CCN(c3ccccn3)CC2)C(=O)Nc2ccccc21
InChIInChI=1S/C23H30N4O/c1-2-23(19-9-3-4-10-20(19)25-22(23)28)12-6-8-14-26-15-17-27(18-16-26)21-11-5-7-13-24-21/h3-5,7,9-11,13H,2,6,8,12,14-18H2,1H3,(H,25,28)
InChIKeyGJFQGLPQMKBZRD-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.67
Rot. Bonds7

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

3-ethyl-3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1H-indol-2-one (PubChem CID 54758295) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is 3-ethyl-3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1H-indol-2-one.

Molecular Properties

Compound Name3-ethyl-3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1H-indol-2-one
PubChem CID54758295
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC Name3-ethyl-3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1H-indol-2-one
SMILESCCC1(CCCCN2CCN(c3ccccn3)CC2)C(=O)Nc2ccccc21
InChIInChI=1S/C23H30N4O/c1-2-23(19-9-3-4-10-20(19)25-22(23)28)12-6-8-14-26-15-17-27(18-16-26)21-11-5-7-13-24-21/h3-5,7,9-11,13H,2,6,8,12,14-18H2,1H3,(H,25,28)
InChIKeyGJFQGLPQMKBZRD-UHFFFAOYSA-N
XLogP3.67
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-pyridin-2-ylpiperazin-1-yl)butyl]-1H-indol-2-one?
The IUPAC name of 3-ethyl-3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1H-indol-2-one (CID 54758295) is 3-ethyl-3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1H-indol-2-one.
What is the SMILES notation for 3-ethyl-3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1H-indol-2-one?
The canonical SMILES for 3-ethyl-3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1H-indol-2-one is CCC1(CCCCN2CCN(c3ccccn3)CC2)C(=O)Nc2ccccc21.
What is the InChIKey of 3-ethyl-3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1H-indol-2-one?
The InChIKey is GJFQGLPQMKBZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-2-23(19-9-3-4-10-20(19)25-22(23)28)12-6-8-14-26-15-17-27(18-16-26)21-11-5-7-13-24-21/h3-5,7,9-11,13H,2,6,8,12,14-18H2,1H3,(H,25,28).
What are the key properties of 3-ethyl-3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1H-indol-2-one?
3-ethyl-3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1H-indol-2-one has a molecular weight of 378.52 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1H-indol-2-one is sourced from PubChem (CID 54758295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).