1-[3-(4-benzylpiperazin-1-yl)propyl]indole-2,3-dione

C22H25N3O2 — CID 23363916

IUPAC1-[3-(4-benzylpiperazin-1-yl)propyl]indole-2,3-dione
SMILESO=C1C(=O)N(CCCN2CCN(Cc3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C22H25N3O2/c26-21-19-9-4-5-10-20(19)25(22(21)27)12-6-11-23-13-15-24(16-14-23)17-18-7-2-1-3-8-18/h1-5,7-10H,6,11-17H2
InChIKeyRJFRUZZLSWWYHQ-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.42
Rot. Bonds6

About 1-[3-(4-benzylpiperazin-1-yl)propyl]indole-2,3-dione

1-[3-(4-benzylpiperazin-1-yl)propyl]indole-2,3-dione (PubChem CID 23363916) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-[3-(4-benzylpiperazin-1-yl)propyl]indole-2,3-dione.

Molecular Properties

Compound Name1-[3-(4-benzylpiperazin-1-yl)propyl]indole-2,3-dione
PubChem CID23363916
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name1-[3-(4-benzylpiperazin-1-yl)propyl]indole-2,3-dione
SMILESO=C1C(=O)N(CCCN2CCN(Cc3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C22H25N3O2/c26-21-19-9-4-5-10-20(19)25(22(21)27)12-6-11-23-13-15-24(16-14-23)17-18-7-2-1-3-8-18/h1-5,7-10H,6,11-17H2
InChIKeyRJFRUZZLSWWYHQ-UHFFFAOYSA-N
XLogP2.42
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]indole-2,3-dione
CID 20502550
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
1-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]indole-2,3-dione
CID 7029246
1-[2-(4-benzylpiperazin-1-yl)ethyl]-6-methoxyindole-2,3-dione
CID 23363894
1-(5-chloropentyl)indole-2,3-dione
CID 43348362
2-[9-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]nonyl]isoindole-1,3-dione
CID 127053246
1-[2-(1-benzylpiperidin-4-yl)ethyl]indole-2,3-dione;5-methylbenzene-1,3-dicarboxylic acid
CID 174332261
1-benzyl-4-(4-phenylbutyl)piperazine;2-[4-(4-phenylpiperazin-1-yl)butyl]isoindole-1,3-dione
CID 67835959
1-[2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethyl]indole-2,3-dione;dihydrochloride
CID 23363958
1-[[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methyl]indole-2,3-dione
CID 17023570
1-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]indole-2,3-dione
CID 7029286

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-benzylpiperazin-1-yl)propyl]indole-2,3-dione?
The IUPAC name of 1-[3-(4-benzylpiperazin-1-yl)propyl]indole-2,3-dione (CID 23363916) is 1-[3-(4-benzylpiperazin-1-yl)propyl]indole-2,3-dione.
What is the SMILES notation for 1-[3-(4-benzylpiperazin-1-yl)propyl]indole-2,3-dione?
The canonical SMILES for 1-[3-(4-benzylpiperazin-1-yl)propyl]indole-2,3-dione is O=C1C(=O)N(CCCN2CCN(Cc3ccccc3)CC2)c2ccccc21.
What is the InChIKey of 1-[3-(4-benzylpiperazin-1-yl)propyl]indole-2,3-dione?
The InChIKey is RJFRUZZLSWWYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c26-21-19-9-4-5-10-20(19)25(22(21)27)12-6-11-23-13-15-24(16-14-23)17-18-7-2-1-3-8-18/h1-5,7-10H,6,11-17H2.
What are the key properties of 1-[3-(4-benzylpiperazin-1-yl)propyl]indole-2,3-dione?
1-[3-(4-benzylpiperazin-1-yl)propyl]indole-2,3-dione has a molecular weight of 363.46 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-benzylpiperazin-1-yl)propyl]indole-2,3-dione is sourced from PubChem (CID 23363916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).