1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione

C20H18ClN3O2 — CID 7087089

IUPAC1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione
SMILESO=C(C(=O)N1CCN(c2ccccc2Cl)CC1)c1c[nH]c2ccccc12
InChIInChI=1S/C20H18ClN3O2/c21-16-6-2-4-8-18(16)23-9-11-24(12-10-23)20(26)19(25)15-13-22-17-7-3-1-5-14(15)17/h1-8,13,22H,9-12H2
InChIKeyCSJNEYKGKJLCDS-UHFFFAOYSA-N
MW367.84 g/mol
LogP3.35
Rot. Bonds3

About 1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione

1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione (PubChem CID 7087089) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is 1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione
PubChem CID7087089
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione
SMILESO=C(C(=O)N1CCN(c2ccccc2Cl)CC1)c1c[nH]c2ccccc12
InChIInChI=1S/C20H18ClN3O2/c21-16-6-2-4-8-18(16)23-9-11-24(12-10-23)20(26)19(25)15-13-22-17-7-3-1-5-14(15)17/h1-8,13,22H,9-12H2
InChIKeyCSJNEYKGKJLCDS-UHFFFAOYSA-N
XLogP3.35
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-chlorophenyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione?
The IUPAC name of 1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione (CID 7087089) is 1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione.
What is the SMILES notation for 1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione?
The canonical SMILES for 1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione is O=C(C(=O)N1CCN(c2ccccc2Cl)CC1)c1c[nH]c2ccccc12.
What is the InChIKey of 1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione?
The InChIKey is CSJNEYKGKJLCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c21-16-6-2-4-8-18(16)23-9-11-24(12-10-23)20(26)19(25)15-13-22-17-7-3-1-5-14(15)17/h1-8,13,22H,9-12H2.
What are the key properties of 1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione?
1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione has a molecular weight of 367.84 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione is sourced from PubChem (CID 7087089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).