1,2-bis[4-(2-methoxyphenyl)piperazin-1-yl]ethane-1,2-dione

C24H30N4O4 — CID 3716113

IUPAC1,2-bis[4-(2-methoxyphenyl)piperazin-1-yl]ethane-1,2-dione
SMILESCOc1ccccc1N1CCN(C(=O)C(=O)N2CCN(c3ccccc3OC)CC2)CC1
InChIInChI=1S/C24H30N4O4/c1-31-21-9-5-3-7-19(21)25-11-15-27(16-12-25)23(29)24(30)28-17-13-26(14-18-28)20-8-4-6-10-22(20)32-2/h3-10H,11-18H2,1-2H3
InChIKeyYKMOCQHELLKRJT-UHFFFAOYSA-N
MW438.53 g/mol
LogP1.70
Rot. Bonds4

About 1,2-bis[4-(2-methoxyphenyl)piperazin-1-yl]ethane-1,2-dione

1,2-bis[4-(2-methoxyphenyl)piperazin-1-yl]ethane-1,2-dione (PubChem CID 3716113) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is 1,2-bis[4-(2-methoxyphenyl)piperazin-1-yl]ethane-1,2-dione.

Molecular Properties

Compound Name1,2-bis[4-(2-methoxyphenyl)piperazin-1-yl]ethane-1,2-dione
PubChem CID3716113
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC Name1,2-bis[4-(2-methoxyphenyl)piperazin-1-yl]ethane-1,2-dione
SMILESCOc1ccccc1N1CCN(C(=O)C(=O)N2CCN(c3ccccc3OC)CC2)CC1
InChIInChI=1S/C24H30N4O4/c1-31-21-9-5-3-7-19(21)25-11-15-27(16-12-25)23(29)24(30)28-17-13-26(14-18-28)20-8-4-6-10-22(20)32-2/h3-10H,11-18H2,1-2H3
InChIKeyYKMOCQHELLKRJT-UHFFFAOYSA-N
XLogP1.70
TPSA65.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1,2-bis[4-(2-methoxyphenyl)piperazin-1-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

Related Compounds

CID 5639
CID 5639
CID 9866614
CID 9866614
CID 410747
CID 410747
CID 55421
CID 55421
CID 3994476
CID 3994476
CID 9887378
CID 9887378
CID 10354670
CID 10354670
CID 10376185
CID 10376185
CID 10422832
CID 10422832
CID 102515538
CID 102515538
CID 831828
CID 831828
CID 2813152
CID 2813152

Frequently Asked Questions

What is the IUPAC name of 1,2-bis[4-(2-methoxyphenyl)piperazin-1-yl]ethane-1,2-dione?
The IUPAC name of 1,2-bis[4-(2-methoxyphenyl)piperazin-1-yl]ethane-1,2-dione (CID 3716113) is 1,2-bis[4-(2-methoxyphenyl)piperazin-1-yl]ethane-1,2-dione.
What is the SMILES notation for 1,2-bis[4-(2-methoxyphenyl)piperazin-1-yl]ethane-1,2-dione?
The canonical SMILES for 1,2-bis[4-(2-methoxyphenyl)piperazin-1-yl]ethane-1,2-dione is COc1ccccc1N1CCN(C(=O)C(=O)N2CCN(c3ccccc3OC)CC2)CC1.
What is the InChIKey of 1,2-bis[4-(2-methoxyphenyl)piperazin-1-yl]ethane-1,2-dione?
The InChIKey is YKMOCQHELLKRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-31-21-9-5-3-7-19(21)25-11-15-27(16-12-25)23(29)24(30)28-17-13-26(14-18-28)20-8-4-6-10-22(20)32-2/h3-10H,11-18H2,1-2H3.
What are the key properties of 1,2-bis[4-(2-methoxyphenyl)piperazin-1-yl]ethane-1,2-dione?
1,2-bis[4-(2-methoxyphenyl)piperazin-1-yl]ethane-1,2-dione has a molecular weight of 438.53 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[4-(2-methoxyphenyl)piperazin-1-yl]ethane-1,2-dione is sourced from PubChem (CID 3716113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).