3-(4-benzhydrylpiperazin-1-yl)-1-methylpyrrolidine-2,5-dione

C22H25N3O2 — CID 2877335

IUPAC3-(4-benzhydrylpiperazin-1-yl)-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(N2CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O
InChIInChI=1S/C22H25N3O2/c1-23-20(26)16-19(22(23)27)24-12-14-25(15-13-24)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,19,21H,12-16H2,1H3
InChIKeyFKXDZSDKDAXBHA-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.15
Rot. Bonds4

About 3-(4-benzhydrylpiperazin-1-yl)-1-methylpyrrolidine-2,5-dione

3-(4-benzhydrylpiperazin-1-yl)-1-methylpyrrolidine-2,5-dione (PubChem CID 2877335) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-(4-benzhydrylpiperazin-1-yl)-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-benzhydrylpiperazin-1-yl)-1-methylpyrrolidine-2,5-dione
PubChem CID2877335
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name3-(4-benzhydrylpiperazin-1-yl)-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(N2CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O
InChIInChI=1S/C22H25N3O2/c1-23-20(26)16-19(22(23)27)24-12-14-25(15-13-24)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,19,21H,12-16H2,1H3
InChIKeyFKXDZSDKDAXBHA-UHFFFAOYSA-N
XLogP2.15
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-benzhydrylpiperazin-1-yl)-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-(4-benzhydrylpiperazin-1-yl)-1-methylpyrrolidine-2,5-dione (CID 2877335) is 3-(4-benzhydrylpiperazin-1-yl)-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-benzhydrylpiperazin-1-yl)-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-benzhydrylpiperazin-1-yl)-1-methylpyrrolidine-2,5-dione is CN1C(=O)CC(N2CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O.
What is the InChIKey of 3-(4-benzhydrylpiperazin-1-yl)-1-methylpyrrolidine-2,5-dione?
The InChIKey is FKXDZSDKDAXBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-23-20(26)16-19(22(23)27)24-12-14-25(15-13-24)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,19,21H,12-16H2,1H3.
What are the key properties of 3-(4-benzhydrylpiperazin-1-yl)-1-methylpyrrolidine-2,5-dione?
3-(4-benzhydrylpiperazin-1-yl)-1-methylpyrrolidine-2,5-dione has a molecular weight of 363.46 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzhydrylpiperazin-1-yl)-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 2877335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).