1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(1H-indol-2-yl)ethane-1,2-dione

C22H21N3O3 — CID 6481396

IUPAC1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(1H-indol-2-yl)ethane-1,2-dione
SMILESC[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C22H21N3O3/c1-15-14-24(21(27)16-7-3-2-4-8-16)11-12-25(15)22(28)20(26)19-13-17-9-5-6-10-18(17)23-19/h2-10,13,15,23H,11-12,14H2,1H3/t15-/m1/s1
InChIKeySGBHMXGRFPBWCM-OAHLLOKOSA-N
MW375.43 g/mol
LogP2.72
Rot. Bonds3

About 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(1H-indol-2-yl)ethane-1,2-dione

1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(1H-indol-2-yl)ethane-1,2-dione (PubChem CID 6481396) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(1H-indol-2-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(1H-indol-2-yl)ethane-1,2-dione
PubChem CID6481396
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(1H-indol-2-yl)ethane-1,2-dione
SMILESC[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C22H21N3O3/c1-15-14-24(21(27)16-7-3-2-4-8-16)11-12-25(15)22(28)20(26)19-13-17-9-5-6-10-18(17)23-19/h2-10,13,15,23H,11-12,14H2,1H3/t15-/m1/s1
InChIKeySGBHMXGRFPBWCM-OAHLLOKOSA-N
XLogP2.72
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(1H-indol-2-yl)ethane-1,2-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(1H-indol-2-yl)ethane-1,2-dione?
The IUPAC name of 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(1H-indol-2-yl)ethane-1,2-dione (CID 6481396) is 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(1H-indol-2-yl)ethane-1,2-dione.
What is the SMILES notation for 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(1H-indol-2-yl)ethane-1,2-dione?
The canonical SMILES for 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(1H-indol-2-yl)ethane-1,2-dione is C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(1H-indol-2-yl)ethane-1,2-dione?
The InChIKey is SGBHMXGRFPBWCM-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-15-14-24(21(27)16-7-3-2-4-8-16)11-12-25(15)22(28)20(26)19-13-17-9-5-6-10-18(17)23-19/h2-10,13,15,23H,11-12,14H2,1H3/t15-/m1/s1.
What are the key properties of 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(1H-indol-2-yl)ethane-1,2-dione?
1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(1H-indol-2-yl)ethane-1,2-dione has a molecular weight of 375.43 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(1H-indol-2-yl)ethane-1,2-dione is sourced from PubChem (CID 6481396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).