3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

C23H33ClN4O4 — CID 45196529

IUPAC3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
SMILESCOCCN1CCN(C(=O)CC2(c3ccccc3Cl)CC(=O)N(CCN(C)C)C2=O)CC1
InChIInChI=1S/C23H33ClN4O4/c1-25(2)8-13-28-21(30)17-23(22(28)31,18-6-4-5-7-19(18)24)16-20(29)27-11-9-26(10-12-27)14-15-32-3/h4-7H,8-17H2,1-3H3
InChIKeyPAVWFVYWHRXGPA-UHFFFAOYSA-N
MW464.99 g/mol
LogP1.08
Rot. Bonds9

About 3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione (PubChem CID 45196529) has the molecular formula C23H33ClN4O4 and a molecular weight of 464.99 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
PubChem CID45196529
Molecular FormulaC23H33ClN4O4
Molecular Weight464.99 g/mol
Exact Mass464.22
IUPAC Name3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
SMILESCOCCN1CCN(C(=O)CC2(c3ccccc3Cl)CC(=O)N(CCN(C)C)C2=O)CC1
InChIInChI=1S/C23H33ClN4O4/c1-25(2)8-13-28-21(30)17-23(22(28)31,18-6-4-5-7-19(18)24)16-20(29)27-11-9-26(10-12-27)14-15-32-3/h4-7H,8-17H2,1-3H3
InChIKeyPAVWFVYWHRXGPA-UHFFFAOYSA-N
XLogP1.08
TPSA73.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.99
LogP ≤ 51.08
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

3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 45192795
(3S)-3-[2-(azepan-1-yl)-2-oxoethyl]-3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]pyrrolidine-2,5-dione
CID 42163290
(3R)-3-(2-chlorophenyl)-3-[2-[4-[(1S)-1-hydroxypropyl]piperidin-1-yl]-2-oxoethyl]-1-(2-methoxyethyl)pyrrolidine-2,5-dione
CID 42380968
3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]pyrrolidine-2,5-dione
CID 126464368
(3S)-3-(2-chlorophenyl)-1-(2-methoxyethyl)-3-[2-oxo-2-(4-thiomorpholin-4-ylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione
CID 25365284
3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)-1-methylpyrrolidine-2,5-dione
CID 45188300
3-[2-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-2-oxoethyl]-3-(2-chlorophenyl)-1-(2-methoxyethyl)pyrrolidine-2,5-dione
CID 45223495
(3R)-3-(2-chlorophenyl)-3-[2-[(3R)-3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(3-methoxypropyl)pyrrolidine-2,5-dione
CID 42169219
(3R)-3-(2-fluorophenyl)-1-(2-methoxyethyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-2,5-dione
CID 125161168
(3S)-3-[2-[(1R,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-3-(2-chlorophenyl)-1-(2-methoxyethyl)pyrrolidine-2,5-dione
CID 98260751
(3S)-1-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-3-[2-[(3S)-4-methyl-3-phenylpiperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 29084538
(3S)-3-(2-chlorophenyl)-1-(3-methoxypropyl)-3-[2-[(3R)-3-(2-methylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 26279132

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione (CID 45196529) is 3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione is COCCN1CCN(C(=O)CC2(c3ccccc3Cl)CC(=O)N(CCN(C)C)C2=O)CC1.
What is the InChIKey of 3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The InChIKey is PAVWFVYWHRXGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33ClN4O4/c1-25(2)8-13-28-21(30)17-23(22(28)31,18-6-4-5-7-19(18)24)16-20(29)27-11-9-26(10-12-27)14-15-32-3/h4-7H,8-17H2,1-3H3.
What are the key properties of 3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione has a molecular weight of 464.99 g/mol, XLogP of 1.08, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 45196529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).