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

C25H33N3O2 — CID 24854369

IUPAC3-ethyl-3-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-1H-indol-2-one
SMILESCCC1(CCCCN2CCN(c3cccc(OC)c3)CC2)C(=O)Nc2ccccc21
InChIInChI=1S/C25H33N3O2/c1-3-25(22-11-4-5-12-23(22)26-24(25)29)13-6-7-14-27-15-17-28(18-16-27)20-9-8-10-21(19-20)30-2/h4-5,8-12,19H,3,6-7,13-18H2,1-2H3,(H,26,29)
InChIKeyZBHUAHSLHYQJKX-UHFFFAOYSA-N
MW407.56 g/mol
LogP4.29
Rot. Bonds8

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

3-ethyl-3-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-1H-indol-2-one (PubChem CID 24854369) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is 3-ethyl-3-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-1H-indol-2-one.

Molecular Properties

Compound Name3-ethyl-3-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-1H-indol-2-one
PubChem CID24854369
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC Name3-ethyl-3-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-1H-indol-2-one
SMILESCCC1(CCCCN2CCN(c3cccc(OC)c3)CC2)C(=O)Nc2ccccc21
InChIInChI=1S/C25H33N3O2/c1-3-25(22-11-4-5-12-23(22)26-24(25)29)13-6-7-14-27-15-17-28(18-16-27)20-9-8-10-21(19-20)30-2/h4-5,8-12,19H,3,6-7,13-18H2,1-2H3,(H,26,29)
InChIKeyZBHUAHSLHYQJKX-UHFFFAOYSA-N
XLogP4.29
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 54.29
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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Related Compounds

4-(2-Benzylamino-ethoxy)-1,3-dihydro-indol-2-one
CID 9903877
1-(4-(4-Phenyl-1-piperazinyl)butyl)indolin-2-one
CID 10667433
N-(3-Methoxy-phenyl)-4-(4-phenyl-piperazin-1-ylmethyl)-benzamide
CID 653541
4-[2-(4-Phenyl-butylamino)-ethoxy]-1,3-dihydro-indol-2-one
CID 10520031
4-[2-(Benzyl-methyl-amino)-ethoxy]-1,3-dihydro-indol-2-one
CID 10661630
2-[4-[4-(3-Methoxyphenyl)piperazin-1-yl]butyl]isoindole-1,3-dione
CID 164628184
2a-[4-{4-(2-Methoxyphenyl)piperazinyl}butyl]-2a,3,4,5-tetrahydrobenz[cd]indole-2(1H)-one
CID 9845006
2a-[4-[4-(3-Methoxyphenyl)piperazin-1-yl]butyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one
CID 10862697
3-[4-[4-(3-Methoxyphenyl)piperazin-1-yl]butyl]-1,3-dihydroindol-2-one
CID 11545363
3-ethyl-3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indol-2-one
CID 11603891
2a-[4-[4-(4-Methoxyphenyl)piperazin-1-yl]butyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one
CID 11732538
3-Ethyl-3-{4-[4-(4-methoxyphenyl)-piperazin-1-yl]-butyl}-1,3-dihydro-2H-indol-2-one
CID 24854186

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-1H-indol-2-one?
The IUPAC name of 3-ethyl-3-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-1H-indol-2-one (CID 24854369) is 3-ethyl-3-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-1H-indol-2-one.
What is the SMILES notation for 3-ethyl-3-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-1H-indol-2-one?
The canonical SMILES for 3-ethyl-3-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-1H-indol-2-one is CCC1(CCCCN2CCN(c3cccc(OC)c3)CC2)C(=O)Nc2ccccc21.
What is the InChIKey of 3-ethyl-3-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-1H-indol-2-one?
The InChIKey is ZBHUAHSLHYQJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-3-25(22-11-4-5-12-23(22)26-24(25)29)13-6-7-14-27-15-17-28(18-16-27)20-9-8-10-21(19-20)30-2/h4-5,8-12,19H,3,6-7,13-18H2,1-2H3,(H,26,29).
What are the key properties of 3-ethyl-3-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-1H-indol-2-one?
3-ethyl-3-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-1H-indol-2-one has a molecular weight of 407.56 g/mol, XLogP of 4.29, 8 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-(3-methoxyphenyl)piperazin-1-yl]butyl]-1H-indol-2-one is sourced from PubChem (CID 24854369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).