1-[2-[4-[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

C22H26N4O6 — CID 55949576

IUPAC1-[2-[4-[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
SMILESCOc1ccccc1N1CC(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CC1=O
InChIInChI=1S/C22H26N4O6/c1-32-17-5-3-2-4-16(17)25-13-15(12-20(25)29)22(31)24-10-8-23(9-11-24)21(30)14-26-18(27)6-7-19(26)28/h2-5,15H,6-14H2,1H3
InChIKeyQCABKUKMNITAFM-UHFFFAOYSA-N
MW442.47 g/mol
LogP-0.13
Rot. Bonds5

About 1-[2-[4-[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

1-[2-[4-[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione (PubChem CID 55949576) has the molecular formula C22H26N4O6 and a molecular weight of 442.47 g/mol. Its IUPAC name is 1-[2-[4-[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[4-[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
PubChem CID55949576
Molecular FormulaC22H26N4O6
Molecular Weight442.47 g/mol
Exact Mass442.19
IUPAC Name1-[2-[4-[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
SMILESCOc1ccccc1N1CC(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CC1=O
InChIInChI=1S/C22H26N4O6/c1-32-17-5-3-2-4-16(17)25-13-15(12-20(25)29)22(31)24-10-8-23(9-11-24)21(30)14-26-18(27)6-7-19(26)28/h2-5,15H,6-14H2,1H3
InChIKeyQCABKUKMNITAFM-UHFFFAOYSA-N
XLogP-0.13
TPSA107.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.47
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 55345738
1-(2-methoxyphenyl)-4-(4-propylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 112790414
(4R)-1-(2-methoxyphenyl)-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 8713514
4-(4-benzoylpiperazine-1-carbonyl)-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 24624490
1-(2-methoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 18886001
4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 49070823
1-(2-methoxyphenyl)-4-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 55340090
1-(2,5-dimethoxyphenyl)-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 55576207
N,N-diethyl-1-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 52796180
1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2941796
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 24680226
(4R)-1-(2-methoxyphenyl)-4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 41013683

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[4-[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione (CID 55949576) is 1-[2-[4-[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[4-[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[4-[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione is COc1ccccc1N1CC(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CC1=O.
What is the InChIKey of 1-[2-[4-[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The InChIKey is QCABKUKMNITAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O6/c1-32-17-5-3-2-4-16(17)25-13-15(12-20(25)29)22(31)24-10-8-23(9-11-24)21(30)14-26-18(27)6-7-19(26)28/h2-5,15H,6-14H2,1H3.
What are the key properties of 1-[2-[4-[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
1-[2-[4-[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione has a molecular weight of 442.47 g/mol, XLogP of -0.13, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 55949576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).