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

C25H32ClN3O — CID 24854111

IUPAC3-[5-[4-(3-chlorophenyl)piperazin-1-yl]pentyl]-3-ethyl-1H-indol-2-one
SMILESCCC1(CCCCCN2CCN(c3cccc(Cl)c3)CC2)C(=O)Nc2ccccc21
InChIInChI=1S/C25H32ClN3O/c1-2-25(22-11-4-5-12-23(22)27-24(25)30)13-6-3-7-14-28-15-17-29(18-16-28)21-10-8-9-20(26)19-21/h4-5,8-12,19H,2-3,6-7,13-18H2,1H3,(H,27,30)
InChIKeyTWTQICWKAXHGTE-UHFFFAOYSA-N
MW426.00 g/mol
LogP5.32
Rot. Bonds8

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

3-[5-[4-(3-chlorophenyl)piperazin-1-yl]pentyl]-3-ethyl-1H-indol-2-one (PubChem CID 24854111) has the molecular formula C25H32ClN3O and a molecular weight of 426.00 g/mol. Its IUPAC name is 3-[5-[4-(3-chlorophenyl)piperazin-1-yl]pentyl]-3-ethyl-1H-indol-2-one.

Molecular Properties

Compound Name3-[5-[4-(3-chlorophenyl)piperazin-1-yl]pentyl]-3-ethyl-1H-indol-2-one
PubChem CID24854111
Molecular FormulaC25H32ClN3O
Molecular Weight426.00 g/mol
Exact Mass425.22
IUPAC Name3-[5-[4-(3-chlorophenyl)piperazin-1-yl]pentyl]-3-ethyl-1H-indol-2-one
SMILESCCC1(CCCCCN2CCN(c3cccc(Cl)c3)CC2)C(=O)Nc2ccccc21
InChIInChI=1S/C25H32ClN3O/c1-2-25(22-11-4-5-12-23(22)27-24(25)30)13-6-3-7-14-28-15-17-29(18-16-28)21-10-8-9-20(26)19-21/h4-5,8-12,19H,2-3,6-7,13-18H2,1H3,(H,27,30)
InChIKeyTWTQICWKAXHGTE-UHFFFAOYSA-N
XLogP5.32
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.00
LogP ≤ 55.32
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

5-chloro-3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3-ethyl-1H-indol-2-one
CID 24854040
3-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]butyl]-3-(2-methylpropyl)-1H-indol-2-one
CID 11510981
5-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpentan-1-amine
CID 62424615
1-chloro-3-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-3-ethylindol-2-one
CID 174510794
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
2-[5-[4-(3-chlorophenyl)piperazin-1-yl]pentyl]benzo[de]isoquinoline-1,3-dione
CID 12965902
1-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-N-methylcyclopent-3-ene-1-carboxamide
CID 146252570
6-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3,4-dihydro-1H-quinolin-2-one
CID 13084721
3-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(Z)-(1-methyl-2-pyridinylidene)amino]propan-1-amine
CID 118259497
(3R)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-8-ethyl-2,8-diazaspiro[4.5]decan-1-one
CID 167661946
2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl-methanidylazanium
CID 20756629
1-(3-chlorophenyl)-4-[3-(2,3-dihydro-1H-inden-1-yl)propyl]piperazine
CID 22029328

Frequently Asked Questions

What is the IUPAC name of 3-[5-[4-(3-chlorophenyl)piperazin-1-yl]pentyl]-3-ethyl-1H-indol-2-one?
The IUPAC name of 3-[5-[4-(3-chlorophenyl)piperazin-1-yl]pentyl]-3-ethyl-1H-indol-2-one (CID 24854111) is 3-[5-[4-(3-chlorophenyl)piperazin-1-yl]pentyl]-3-ethyl-1H-indol-2-one.
What is the SMILES notation for 3-[5-[4-(3-chlorophenyl)piperazin-1-yl]pentyl]-3-ethyl-1H-indol-2-one?
The canonical SMILES for 3-[5-[4-(3-chlorophenyl)piperazin-1-yl]pentyl]-3-ethyl-1H-indol-2-one is CCC1(CCCCCN2CCN(c3cccc(Cl)c3)CC2)C(=O)Nc2ccccc21.
What is the InChIKey of 3-[5-[4-(3-chlorophenyl)piperazin-1-yl]pentyl]-3-ethyl-1H-indol-2-one?
The InChIKey is TWTQICWKAXHGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32ClN3O/c1-2-25(22-11-4-5-12-23(22)27-24(25)30)13-6-3-7-14-28-15-17-29(18-16-28)21-10-8-9-20(26)19-21/h4-5,8-12,19H,2-3,6-7,13-18H2,1H3,(H,27,30).
What are the key properties of 3-[5-[4-(3-chlorophenyl)piperazin-1-yl]pentyl]-3-ethyl-1H-indol-2-one?
3-[5-[4-(3-chlorophenyl)piperazin-1-yl]pentyl]-3-ethyl-1H-indol-2-one has a molecular weight of 426.00 g/mol, XLogP of 5.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[4-(3-chlorophenyl)piperazin-1-yl]pentyl]-3-ethyl-1H-indol-2-one is sourced from PubChem (CID 24854111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).