methyl 1-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxylate

C16H20N2O4 — CID 50878785

IUPACmethyl 1-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(c2ccccc2N2CCOCC2)C1
InChIInChI=1S/C16H20N2O4/c1-21-16(20)12-10-15(19)18(11-12)14-5-3-2-4-13(14)17-6-8-22-9-7-17/h2-5,12H,6-11H2,1H3
InChIKeyBDEAJTAFBUNTAS-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.05
Rot. Bonds3

About methyl 1-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxylate

methyl 1-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 50878785) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is methyl 1-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID50878785
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Namemethyl 1-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(c2ccccc2N2CCOCC2)C1
InChIInChI=1S/C16H20N2O4/c1-21-16(20)12-10-15(19)18(11-12)14-5-3-2-4-13(14)17-6-8-22-9-7-17/h2-5,12H,6-11H2,1H3
InChIKeyBDEAJTAFBUNTAS-UHFFFAOYSA-N
XLogP1.05
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 1-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-oxo-1-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxylate
CID 50879609
methyl (3S)-5-oxo-1-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxylate
CID 94077585
methyl 1-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxylate
CID 50879666
4-(morpholine-4-carbonyl)-1-(2-morpholin-4-ylphenyl)pyrrolidin-2-one
CID 113189973
1-(2-morpholin-4-ylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 113189959
methyl 1-[(2-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 168694285
methyl 1-(3-bromo-4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 50878841
methyl (3S)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075738
methyl 1-(2-iodophenyl)-5-oxopyrrolidine-3-carboxylate
CID 168694888
S-[1-(2-morpholin-4-ylphenyl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168706835
4-(3-methylpiperidine-1-carbonyl)-1-(2-morpholin-4-ylphenyl)pyrrolidin-2-one
CID 113190000
N-[(3-methylphenyl)methyl]-1-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113189983

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxylate (CID 50878785) is methyl 1-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxylate is COC(=O)C1CC(=O)N(c2ccccc2N2CCOCC2)C1.
What is the InChIKey of methyl 1-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is BDEAJTAFBUNTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-21-16(20)12-10-15(19)18(11-12)14-5-3-2-4-13(14)17-6-8-22-9-7-17/h2-5,12H,6-11H2,1H3.
What are the key properties of methyl 1-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxylate?
methyl 1-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 304.35 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 50878785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).