1-(3-chloro-2-methylphenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione

C18H23ClN2O3 — CID 17324587

IUPAC1-(3-chloro-2-methylphenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione
SMILESCc1c(Cl)cccc1N1C(=O)CC(N2CCCCC2CCO)C1=O
InChIInChI=1S/C18H23ClN2O3/c1-12-14(19)6-4-7-15(12)21-17(23)11-16(18(21)24)20-9-3-2-5-13(20)8-10-22/h4,6-7,13,16,22H,2-3,5,8-11H2,1H3
InChIKeyINPUWVNXPINVDC-UHFFFAOYSA-N
MW350.85 g/mol
LogP2.52
Rot. Bonds4

About 1-(3-chloro-2-methylphenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione

1-(3-chloro-2-methylphenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione (PubChem CID 17324587) has the molecular formula C18H23ClN2O3 and a molecular weight of 350.85 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione
PubChem CID17324587
Molecular FormulaC18H23ClN2O3
Molecular Weight350.85 g/mol
Exact Mass350.14
IUPAC Name1-(3-chloro-2-methylphenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione
SMILESCc1c(Cl)cccc1N1C(=O)CC(N2CCCCC2CCO)C1=O
InChIInChI=1S/C18H23ClN2O3/c1-12-14(19)6-4-7-15(12)21-17(23)11-16(18(21)24)20-9-3-2-5-13(20)8-10-22/h4,6-7,13,16,22H,2-3,5,8-11H2,1H3
InChIKeyINPUWVNXPINVDC-UHFFFAOYSA-N
XLogP2.52
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione (CID 17324587) is 1-(3-chloro-2-methylphenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione is Cc1c(Cl)cccc1N1C(=O)CC(N2CCCCC2CCO)C1=O.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is INPUWVNXPINVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O3/c1-12-14(19)6-4-7-15(12)21-17(23)11-16(18(21)24)20-9-3-2-5-13(20)8-10-22/h4,6-7,13,16,22H,2-3,5,8-11H2,1H3.
What are the key properties of 1-(3-chloro-2-methylphenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione?
1-(3-chloro-2-methylphenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 350.85 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 17324587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).