1-[2-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione

C20H25N3O3 — CID 90567212

IUPAC1-[2-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CC(=O)N1CCN(C2CC2)CC1Cc1ccccc1
InChIInChI=1S/C20H25N3O3/c24-18-8-9-19(25)23(18)14-20(26)22-11-10-21(16-6-7-16)13-17(22)12-15-4-2-1-3-5-15/h1-5,16-17H,6-14H2
InChIKeyULHINUUCKJQOJG-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.05
Rot. Bonds5

About 1-[2-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione

1-[2-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione (PubChem CID 90567212) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-[2-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione
PubChem CID90567212
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name1-[2-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CC(=O)N1CCN(C2CC2)CC1Cc1ccccc1
InChIInChI=1S/C20H25N3O3/c24-18-8-9-19(25)23(18)14-20(26)22-11-10-21(16-6-7-16)13-17(22)12-15-4-2-1-3-5-15/h1-5,16-17H,6-14H2
InChIKeyULHINUUCKJQOJG-UHFFFAOYSA-N
XLogP1.05
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-(3-methylphenyl)ethanone
CID 90567156
2-[4-(2-benzyl-4-cyclopropylpiperazin-1-yl)-4-oxobutyl]isoindole-1,3-dione
CID 90567247
2-benzyl-4-cyclopropyl-N-(2-phenylethyl)piperazine-1-carboxamide
CID 71801351
(E)-1-[(2R)-2-benzyl-4-cyclopropylpiperazin-1-yl]-3-phenylprop-2-en-1-one
CID 97040917
(2S)-2-benzyl-4-cyclopropyl-N-phenylpiperazine-1-carboxamide
CID 97040924
1-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-(4-fluorophenyl)sulfanylethanone
CID 90567211
1-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-(4-propan-2-ylsulfanylphenyl)ethanone
CID 90567225
N-[4-(2-benzyl-4-cyclopropylpiperazine-1-carbonyl)phenyl]acetamide
CID 90567032
(2-benzyl-4-cyclopropylpiperazin-1-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 90567197
(2-benzyl-4-cyclopropylpiperazin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 90567166
4-(2-benzyl-4-cyclopropylpiperazine-1-carbonyl)-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 90567182
benzyl 2-benzyl-4-(oxetan-3-yl)piperazine-1-carboxylate
CID 170567015

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione (CID 90567212) is 1-[2-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1CC(=O)N1CCN(C2CC2)CC1Cc1ccccc1.
What is the InChIKey of 1-[2-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione?
The InChIKey is ULHINUUCKJQOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c24-18-8-9-19(25)23(18)14-20(26)22-11-10-21(16-6-7-16)13-17(22)12-15-4-2-1-3-5-15/h1-5,16-17H,6-14H2.
What are the key properties of 1-[2-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione?
1-[2-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione has a molecular weight of 355.44 g/mol, XLogP of 1.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 90567212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).