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

C25H33N3O2 — CID 11603891

IUPAC3-ethyl-3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indol-2-one
SMILESCCC1(CCCCN2CCN(c3ccccc3OC)CC2)C(=O)Nc2ccccc21
InChIInChI=1S/C25H33N3O2/c1-3-25(20-10-4-5-11-21(20)26-24(25)29)14-8-9-15-27-16-18-28(19-17-27)22-12-6-7-13-23(22)30-2/h4-7,10-13H,3,8-9,14-19H2,1-2H3,(H,26,29)
InChIKeyQOLSSOMCERQWLI-UHFFFAOYSA-N
MW407.56 g/mol
LogP4.29
Rot. Bonds8

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

3-ethyl-3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indol-2-one (PubChem CID 11603891) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is 3-ethyl-3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indol-2-one.

Molecular Properties

Compound Name3-ethyl-3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indol-2-one
PubChem CID11603891
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC Name3-ethyl-3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indol-2-one
SMILESCCC1(CCCCN2CCN(c3ccccc3OC)CC2)C(=O)Nc2ccccc21
InChIInChI=1S/C25H33N3O2/c1-3-25(20-10-4-5-11-21(20)26-24(25)29)14-8-9-15-27-16-18-28(19-17-27)22-12-6-7-13-23(22)30-2/h4-7,10-13H,3,8-9,14-19H2,1-2H3,(H,26,29)
InChIKeyQOLSSOMCERQWLI-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

GR-103691
CID 4302960
Nan 190
CID 4431
N-(1,1-Dimethylethyl)-4-(2-methoxyphenyl)-alpha-phenyl-1-piperazinepropanamide
CID 115111
2-(4-(4-(2-Methoxyphenyl)-1-piperazinyl)butyl)-1H-isoindole-1,3(2H)-dione hydrobromide (1:1)
CID 107966
(2S)-N-tert-butyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylpropanamide
CID 6604840
3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(2-methoxyphenyl)propanamide
CID 721269
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenylcyclopentane-1-carboxamide
CID 4880035
1-(4-(4-Phenyl-1-piperazinyl)butyl)indolin-2-one
CID 10667433
6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
CID 11432177
Nbump
CID 64622
(2R)-1-(azepan-1-yl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one
CID 9803032
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexanecarboxamide
CID 9819571

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indol-2-one?
The IUPAC name of 3-ethyl-3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indol-2-one (CID 11603891) is 3-ethyl-3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indol-2-one.
What is the SMILES notation for 3-ethyl-3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indol-2-one?
The canonical SMILES for 3-ethyl-3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indol-2-one is CCC1(CCCCN2CCN(c3ccccc3OC)CC2)C(=O)Nc2ccccc21.
What is the InChIKey of 3-ethyl-3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indol-2-one?
The InChIKey is QOLSSOMCERQWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-3-25(20-10-4-5-11-21(20)26-24(25)29)14-8-9-15-27-16-18-28(19-17-27)22-12-6-7-13-23(22)30-2/h4-7,10-13H,3,8-9,14-19H2,1-2H3,(H,26,29).
What are the key properties of 3-ethyl-3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indol-2-one?
3-ethyl-3-[4-[4-(2-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-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indol-2-one is sourced from PubChem (CID 11603891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).