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

C24H29Cl2N3O — CID 24854040

IUPAC5-chloro-3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3-ethyl-1H-indol-2-one
SMILESCCC1(CCCCN2CCN(c3cccc(Cl)c3)CC2)C(=O)Nc2ccc(Cl)cc21
InChIInChI=1S/C24H29Cl2N3O/c1-2-24(21-17-19(26)8-9-22(21)27-23(24)30)10-3-4-11-28-12-14-29(15-13-28)20-7-5-6-18(25)16-20/h5-9,16-17H,2-4,10-15H2,1H3,(H,27,30)
InChIKeyYFDRVPRNWMMHLM-UHFFFAOYSA-N
MW446.42 g/mol
LogP5.59
Rot. Bonds7

About 5-chloro-3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3-ethyl-1H-indol-2-one

5-chloro-3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3-ethyl-1H-indol-2-one (PubChem CID 24854040) has the molecular formula C24H29Cl2N3O and a molecular weight of 446.42 g/mol. Its IUPAC name is 5-chloro-3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3-ethyl-1H-indol-2-one.

Molecular Properties

Compound Name5-chloro-3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3-ethyl-1H-indol-2-one
PubChem CID24854040
Molecular FormulaC24H29Cl2N3O
Molecular Weight446.42 g/mol
Exact Mass445.17
IUPAC Name5-chloro-3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3-ethyl-1H-indol-2-one
SMILESCCC1(CCCCN2CCN(c3cccc(Cl)c3)CC2)C(=O)Nc2ccc(Cl)cc21
InChIInChI=1S/C24H29Cl2N3O/c1-2-24(21-17-19(26)8-9-22(21)27-23(24)30)10-3-4-11-28-12-14-29(15-13-28)20-7-5-6-18(25)16-20/h5-9,16-17H,2-4,10-15H2,1H3,(H,27,30)
InChIKeyYFDRVPRNWMMHLM-UHFFFAOYSA-N
XLogP5.59
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.42
LogP ≤ 55.59
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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Related Compounds

3-[5-[4-(3-chlorophenyl)piperazin-1-yl]pentyl]-3-ethyl-1H-indol-2-one
CID 24854111
1-chloro-3-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-3-ethylindol-2-one
CID 174510794
5-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpentan-1-amine
CID 62424615
1-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-N-methylcyclopent-3-ene-1-carboxamide
CID 146252570
3-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]butyl]-3-(2-methylpropyl)-1H-indol-2-one
CID 11510981
6-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3,4-dihydro-1H-quinolin-2-one
CID 13084721
2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl-methanidylazanium
CID 20756629
4-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-4-azatetracyclo[5.4.2.02,6.08,11]trideca-9,12-diene-3,5-dione
CID 14086477
3-[4-(3-chlorophenyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 109017492
1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-one
CID 60649957
(3R)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-8-ethyl-2,8-diazaspiro[4.5]decan-1-one
CID 167661946
2-[5-[4-(3-chlorophenyl)piperazin-1-yl]pentyl]benzo[de]isoquinoline-1,3-dione
CID 12965902

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3-ethyl-1H-indol-2-one?
The IUPAC name of 5-chloro-3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3-ethyl-1H-indol-2-one (CID 24854040) is 5-chloro-3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3-ethyl-1H-indol-2-one.
What is the SMILES notation for 5-chloro-3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3-ethyl-1H-indol-2-one?
The canonical SMILES for 5-chloro-3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3-ethyl-1H-indol-2-one is CCC1(CCCCN2CCN(c3cccc(Cl)c3)CC2)C(=O)Nc2ccc(Cl)cc21.
What is the InChIKey of 5-chloro-3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3-ethyl-1H-indol-2-one?
The InChIKey is YFDRVPRNWMMHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29Cl2N3O/c1-2-24(21-17-19(26)8-9-22(21)27-23(24)30)10-3-4-11-28-12-14-29(15-13-28)20-7-5-6-18(25)16-20/h5-9,16-17H,2-4,10-15H2,1H3,(H,27,30).
What are the key properties of 5-chloro-3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3-ethyl-1H-indol-2-one?
5-chloro-3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3-ethyl-1H-indol-2-one has a molecular weight of 446.42 g/mol, XLogP of 5.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3-ethyl-1H-indol-2-one is sourced from PubChem (CID 24854040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).