3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidine-2,5-dione

C18H24ClN3O3 — CID 4878079

IUPAC3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidine-2,5-dione
SMILESCOCCN1C(=O)CC(N2CCN(c3cc(Cl)ccc3C)CC2)C1=O
InChIInChI=1S/C18H24ClN3O3/c1-13-3-4-14(19)11-15(13)20-5-7-21(8-6-20)16-12-17(23)22(18(16)24)9-10-25-2/h3-4,11,16H,5-10,12H2,1-2H3
InChIKeyLSOUIOUXJGGIHL-UHFFFAOYSA-N
MW365.86 g/mol
LogP1.54
Rot. Bonds5

About 3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidine-2,5-dione

3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidine-2,5-dione (PubChem CID 4878079) has the molecular formula C18H24ClN3O3 and a molecular weight of 365.86 g/mol. Its IUPAC name is 3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidine-2,5-dione
PubChem CID4878079
Molecular FormulaC18H24ClN3O3
Molecular Weight365.86 g/mol
Exact Mass365.15
IUPAC Name3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidine-2,5-dione
SMILESCOCCN1C(=O)CC(N2CCN(c3cc(Cl)ccc3C)CC2)C1=O
InChIInChI=1S/C18H24ClN3O3/c1-13-3-4-14(19)11-15(13)20-5-7-21(8-6-20)16-12-17(23)22(18(16)24)9-10-25-2/h3-4,11,16H,5-10,12H2,1-2H3
InChIKeyLSOUIOUXJGGIHL-UHFFFAOYSA-N
XLogP1.54
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidine-2,5-dione (CID 4878079) is 3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidine-2,5-dione is COCCN1C(=O)CC(N2CCN(c3cc(Cl)ccc3C)CC2)C1=O.
What is the InChIKey of 3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidine-2,5-dione?
The InChIKey is LSOUIOUXJGGIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O3/c1-13-3-4-14(19)11-15(13)20-5-7-21(8-6-20)16-12-17(23)22(18(16)24)9-10-25-2/h3-4,11,16H,5-10,12H2,1-2H3.
What are the key properties of 3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidine-2,5-dione?
3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidine-2,5-dione has a molecular weight of 365.86 g/mol, XLogP of 1.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 4878079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).