1-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]indole-2,3-dione

C22H24ClN3O2 — CID 20502550

IUPAC1-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]indole-2,3-dione
SMILESO=C1C(=O)N(CCCN2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc21
InChIInChI=1S/C22H24ClN3O2/c23-18-8-6-17(7-9-18)16-25-14-12-24(13-15-25)10-3-11-26-20-5-2-1-4-19(20)21(27)22(26)28/h1-2,4-9H,3,10-16H2
InChIKeyUIGCOGAEPPRSTB-UHFFFAOYSA-N
MW397.91 g/mol
LogP3.08
Rot. Bonds6

About 1-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]indole-2,3-dione

1-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]indole-2,3-dione (PubChem CID 20502550) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is 1-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]indole-2,3-dione.

Molecular Properties

Compound Name1-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]indole-2,3-dione
PubChem CID20502550
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC Name1-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]indole-2,3-dione
SMILESO=C1C(=O)N(CCCN2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc21
InChIInChI=1S/C22H24ClN3O2/c23-18-8-6-17(7-9-18)16-25-14-12-24(13-15-25)10-3-11-26-20-5-2-1-4-19(20)21(27)22(26)28/h1-2,4-9H,3,10-16H2
InChIKeyUIGCOGAEPPRSTB-UHFFFAOYSA-N
XLogP3.08
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 1-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]indole-2,3-dione with MolForge

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Related Compounds

1-[3-(4-benzylpiperazin-1-yl)propyl]indole-2,3-dione
CID 23363916
1-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]indole-2,3-dione
CID 7029246
2-[9-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]nonyl]isoindole-1,3-dione
CID 127053246
2-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethyl]isoindole-1,3-dione
CID 9390005
1-[4-(4-benzylpiperazin-1-yl)butyl]indole-2,3-dione;5-methylbenzene-1,3-dicarboxylic acid;dihydrochloride
CID 174418800
1-[4-(4-benzhydrylpiperazin-1-yl)butyl]indole-2,3-dione
CID 20502497
2-[6-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6-oxohexyl]isoindole-1,3-dione
CID 19325444
1-(5-chloropentyl)indole-2,3-dione
CID 43348362
1-[2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethyl]indole-2,3-dione;dihydrochloride
CID 23363958
7-chloro-1-(3-pyrrolidin-1-ylpropyl)indole-2,3-dione
CID 61494087
1-[4-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]butyl]-3,4-dihydro-1-benzazepine-2,5-dione
CID 68584099
1-[2-(4-benzylpiperazin-1-yl)ethyl]-6-methoxyindole-2,3-dione
CID 23363894

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]indole-2,3-dione?
The IUPAC name of 1-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]indole-2,3-dione (CID 20502550) is 1-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]indole-2,3-dione.
What is the SMILES notation for 1-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]indole-2,3-dione?
The canonical SMILES for 1-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]indole-2,3-dione is O=C1C(=O)N(CCCN2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc21.
What is the InChIKey of 1-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]indole-2,3-dione?
The InChIKey is UIGCOGAEPPRSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c23-18-8-6-17(7-9-18)16-25-14-12-24(13-15-25)10-3-11-26-20-5-2-1-4-19(20)21(27)22(26)28/h1-2,4-9H,3,10-16H2.
What are the key properties of 1-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]indole-2,3-dione?
1-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]indole-2,3-dione has a molecular weight of 397.91 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]indole-2,3-dione is sourced from PubChem (CID 20502550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).