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

C17H22N2O4 — CID 168694285

IUPACmethyl 1-[(2-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(Cc2ccccc2N2CCOCC2)C1
InChIInChI=1S/C17H22N2O4/c1-22-17(21)14-10-16(20)19(12-14)11-13-4-2-3-5-15(13)18-6-8-23-9-7-18/h2-5,14H,6-12H2,1H3
InChIKeyWOUBRPNGPQCOML-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.04
Rot. Bonds4

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

methyl 1-[(2-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-3-carboxylate (PubChem CID 168694285) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is methyl 1-[(2-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(2-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-3-carboxylate
PubChem CID168694285
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Namemethyl 1-[(2-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(Cc2ccccc2N2CCOCC2)C1
InChIInChI=1S/C17H22N2O4/c1-22-17(21)14-10-16(20)19(12-14)11-13-4-2-3-5-15(13)18-6-8-23-9-7-18/h2-5,14H,6-12H2,1H3
InChIKeyWOUBRPNGPQCOML-UHFFFAOYSA-N
XLogP1.04
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 50878785
methyl 1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 168694327
[1-[(2-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676614
[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl] (3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 51492511
methyl (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 42579834
methyl (3S)-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylate
CID 6932471
methyl 1-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168693497
methyl 5-oxo-1-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxylate
CID 50879609
(3R)-1-benzyl-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2506973
methyl (3S)-5-oxo-1-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxylate
CID 94077585
methyl 1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 42881896
N-methoxymethanamine;methyl 1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 123682959

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(2-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-[(2-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-3-carboxylate (CID 168694285) is methyl 1-[(2-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-[(2-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-[(2-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-3-carboxylate is COC(=O)C1CC(=O)N(Cc2ccccc2N2CCOCC2)C1.
What is the InChIKey of methyl 1-[(2-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-3-carboxylate?
The InChIKey is WOUBRPNGPQCOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-22-17(21)14-10-16(20)19(12-14)11-13-4-2-3-5-15(13)18-6-8-23-9-7-18/h2-5,14H,6-12H2,1H3.
What are the key properties of methyl 1-[(2-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-3-carboxylate?
methyl 1-[(2-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-3-carboxylate has a molecular weight of 318.37 g/mol, XLogP of 1.04, 4 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)methyl]-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 168694285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).