3-(4-benzylpiperazin-1-yl)-1-(2-methylpropyl)pyrrolidine-2,5-dione

C19H27N3O2 — CID 2990734

IUPAC3-(4-benzylpiperazin-1-yl)-1-(2-methylpropyl)pyrrolidine-2,5-dione
SMILESCC(C)CN1C(=O)CC(N2CCN(Cc3ccccc3)CC2)C1=O
InChIInChI=1S/C19H27N3O2/c1-15(2)13-22-18(23)12-17(19(22)24)21-10-8-20(9-11-21)14-16-6-4-3-5-7-16/h3-7,15,17H,8-14H2,1-2H3
InChIKeyCMEHVYXSQKLRCN-UHFFFAOYSA-N
MW329.44 g/mol
LogP1.59
Rot. Bonds5

About 3-(4-benzylpiperazin-1-yl)-1-(2-methylpropyl)pyrrolidine-2,5-dione

3-(4-benzylpiperazin-1-yl)-1-(2-methylpropyl)pyrrolidine-2,5-dione (PubChem CID 2990734) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 3-(4-benzylpiperazin-1-yl)-1-(2-methylpropyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-benzylpiperazin-1-yl)-1-(2-methylpropyl)pyrrolidine-2,5-dione
PubChem CID2990734
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name3-(4-benzylpiperazin-1-yl)-1-(2-methylpropyl)pyrrolidine-2,5-dione
SMILESCC(C)CN1C(=O)CC(N2CCN(Cc3ccccc3)CC2)C1=O
InChIInChI=1S/C19H27N3O2/c1-15(2)13-22-18(23)12-17(19(22)24)21-10-8-20(9-11-21)14-16-6-4-3-5-7-16/h3-7,15,17H,8-14H2,1-2H3
InChIKeyCMEHVYXSQKLRCN-UHFFFAOYSA-N
XLogP1.59
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.59
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-benzylpiperazin-1-yl)-1-(2-methylpropyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(4-benzylpiperazin-1-yl)-1-(2-methylpropyl)pyrrolidine-2,5-dione (CID 2990734) is 3-(4-benzylpiperazin-1-yl)-1-(2-methylpropyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-benzylpiperazin-1-yl)-1-(2-methylpropyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-benzylpiperazin-1-yl)-1-(2-methylpropyl)pyrrolidine-2,5-dione is CC(C)CN1C(=O)CC(N2CCN(Cc3ccccc3)CC2)C1=O.
What is the InChIKey of 3-(4-benzylpiperazin-1-yl)-1-(2-methylpropyl)pyrrolidine-2,5-dione?
The InChIKey is CMEHVYXSQKLRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-15(2)13-22-18(23)12-17(19(22)24)21-10-8-20(9-11-21)14-16-6-4-3-5-7-16/h3-7,15,17H,8-14H2,1-2H3.
What are the key properties of 3-(4-benzylpiperazin-1-yl)-1-(2-methylpropyl)pyrrolidine-2,5-dione?
3-(4-benzylpiperazin-1-yl)-1-(2-methylpropyl)pyrrolidine-2,5-dione has a molecular weight of 329.44 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperazin-1-yl)-1-(2-methylpropyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2990734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).