1-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]indole-2,3-dione

C20H20ClN3O2 — CID 7029235

IUPAC1-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]indole-2,3-dione
SMILESCc1ccc(Cl)cc1N1CCN(CN2C(=O)C(=O)c3ccccc32)CC1
InChIInChI=1S/C20H20ClN3O2/c1-14-6-7-15(21)12-18(14)23-10-8-22(9-11-23)13-24-17-5-3-2-4-16(17)19(25)20(24)26/h2-7,12H,8-11,13H2,1H3
InChIKeyUWNZPTSTSSPGDC-UHFFFAOYSA-N
MW369.85 g/mol
LogP2.96
Rot. Bonds3

About 1-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]indole-2,3-dione

1-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]indole-2,3-dione (PubChem CID 7029235) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is 1-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]indole-2,3-dione.

Molecular Properties

Compound Name1-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]indole-2,3-dione
PubChem CID7029235
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name1-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]indole-2,3-dione
SMILESCc1ccc(Cl)cc1N1CCN(CN2C(=O)C(=O)c3ccccc32)CC1
InChIInChI=1S/C20H20ClN3O2/c1-14-6-7-15(21)12-18(14)23-10-8-22(9-11-23)13-24-17-5-3-2-4-16(17)19(25)20(24)26/h2-7,12H,8-11,13H2,1H3
InChIKeyUWNZPTSTSSPGDC-UHFFFAOYSA-N
XLogP2.96
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]indole-2,3-dione?
The IUPAC name of 1-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]indole-2,3-dione (CID 7029235) is 1-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]indole-2,3-dione.
What is the SMILES notation for 1-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]indole-2,3-dione?
The canonical SMILES for 1-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]indole-2,3-dione is Cc1ccc(Cl)cc1N1CCN(CN2C(=O)C(=O)c3ccccc32)CC1.
What is the InChIKey of 1-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]indole-2,3-dione?
The InChIKey is UWNZPTSTSSPGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-14-6-7-15(21)12-18(14)23-10-8-22(9-11-23)13-24-17-5-3-2-4-16(17)19(25)20(24)26/h2-7,12H,8-11,13H2,1H3.
What are the key properties of 1-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]indole-2,3-dione?
1-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]indole-2,3-dione has a molecular weight of 369.85 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]indole-2,3-dione is sourced from PubChem (CID 7029235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).