1-(2,5-dimethoxyphenyl)-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one

C23H32N4O5 — CID 55576207

IUPAC1-(2,5-dimethoxyphenyl)-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCOc1ccc(OC)c(N2CC(C(=O)N3CCN(CC(=O)N4CCCC4)CC3)CC2=O)c1
InChIInChI=1S/C23H32N4O5/c1-31-18-5-6-20(32-2)19(14-18)27-15-17(13-21(27)28)23(30)26-11-9-24(10-12-26)16-22(29)25-7-3-4-8-25/h5-6,14,17H,3-4,7-13,15-16H2,1-2H3
InChIKeyXCOOXEGASSSSHA-UHFFFAOYSA-N
MW444.53 g/mol
LogP0.82
Rot. Bonds6

About 1-(2,5-dimethoxyphenyl)-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one

1-(2,5-dimethoxyphenyl)-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 55576207) has the molecular formula C23H32N4O5 and a molecular weight of 444.53 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID55576207
Molecular FormulaC23H32N4O5
Molecular Weight444.53 g/mol
Exact Mass444.24
IUPAC Name1-(2,5-dimethoxyphenyl)-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCOc1ccc(OC)c(N2CC(C(=O)N3CCN(CC(=O)N4CCCC4)CC3)CC2=O)c1
InChIInChI=1S/C23H32N4O5/c1-31-18-5-6-20(32-2)19(14-18)27-15-17(13-21(27)28)23(30)26-11-9-24(10-12-26)16-22(29)25-7-3-4-8-25/h5-6,14,17H,3-4,7-13,15-16H2,1-2H3
InChIKeyXCOOXEGASSSSHA-UHFFFAOYSA-N
XLogP0.82
TPSA82.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide
CID 55642105
4-[1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-carbaldehyde
CID 113188456
(4S)-1-(2,5-dimethoxyphenyl)-4-(4-methylpiperazin-4-ium-1-carbonyl)pyrrolidin-2-one
CID 9396068
methyl 1-[(3R)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylate
CID 9396744
(4R)-1-(2-methoxy-5-methylphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one
CID 41025662
2-[4-[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 55438771
1-(2,5-dimethoxyphenyl)-4-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 55851376
4-(azetidine-1-carbonyl)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-2-one
CID 134015599
1-(2-chlorophenyl)-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 43045456
1-[2-[4-[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 55949576
1-(4-methylphenyl)-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 43034008
(4S)-1-(2,5-dimethoxyphenyl)-4-[(2S)-2-methylmorpholine-4-carbonyl]pyrrolidin-2-one
CID 94020901

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one (CID 55576207) is 1-(2,5-dimethoxyphenyl)-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one is COc1ccc(OC)c(N2CC(C(=O)N3CCN(CC(=O)N4CCCC4)CC3)CC2=O)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is XCOOXEGASSSSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O5/c1-31-18-5-6-20(32-2)19(14-18)27-15-17(13-21(27)28)23(30)26-11-9-24(10-12-26)16-22(29)25-7-3-4-8-25/h5-6,14,17H,3-4,7-13,15-16H2,1-2H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one?
1-(2,5-dimethoxyphenyl)-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 444.53 g/mol, XLogP of 0.82, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 55576207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).