1-[3-(methoxymethyl)-4-morpholin-4-ylphenyl]pyrrolidin-2-one

C16H22N2O3 — CID 59165535

IUPAC1-[3-(methoxymethyl)-4-morpholin-4-ylphenyl]pyrrolidin-2-one
SMILESCOCc1cc(N2CCCC2=O)ccc1N1CCOCC1
InChIInChI=1S/C16H22N2O3/c1-20-12-13-11-14(18-6-2-3-16(18)19)4-5-15(13)17-7-9-21-10-8-17/h4-5,11H,2-3,6-10,12H2,1H3
InChIKeyZAKOPKUTSFNOGU-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.80
Rot. Bonds4

About 1-[3-(methoxymethyl)-4-morpholin-4-ylphenyl]pyrrolidin-2-one

1-[3-(methoxymethyl)-4-morpholin-4-ylphenyl]pyrrolidin-2-one (PubChem CID 59165535) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[3-(methoxymethyl)-4-morpholin-4-ylphenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(methoxymethyl)-4-morpholin-4-ylphenyl]pyrrolidin-2-one
PubChem CID59165535
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-[3-(methoxymethyl)-4-morpholin-4-ylphenyl]pyrrolidin-2-one
SMILESCOCc1cc(N2CCCC2=O)ccc1N1CCOCC1
InChIInChI=1S/C16H22N2O3/c1-20-12-13-11-14(18-6-2-3-16(18)19)4-5-15(13)17-7-9-21-10-8-17/h4-5,11H,2-3,6-10,12H2,1H3
InChIKeyZAKOPKUTSFNOGU-UHFFFAOYSA-N
XLogP1.80
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-[4-morpholin-4-yl-3-[[(E)-pent-2-en-3-yl]oxymethyl]phenyl]pyrrolidin-2-one
CID 143093968
ethane;1-[3-[(3-fluoro-4-methylphenoxy)methyl]-4-morpholin-4-ylphenyl]pyrrolidin-2-one
CID 143410224
1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one
CID 102501069
1-[3-(methoxymethyl)phenyl]pyrrolidin-2-one
CID 58826741
1-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-5-morpholin-4-yl-2,3-dihydropyridin-6-one
CID 118086872
methoxymethane;N-[3-(methoxymethyl)-4-morpholin-4-ylphenyl]-N-methyl-2-morpholin-4-ylacetamide
CID 143227695
1-cyclohexyl-2-[2-fluoro-4-[[2-morpholin-4-yl-5-(2-oxopiperidin-1-yl)phenyl]methoxy]phenyl]benzimidazole-5-carboxylic acid
CID 16729588
2-(dimethylamino)-N-(fluoromethyl)-N-[3-(methoxymethyl)-4-morpholin-4-ylphenyl]acetamide
CID 70876654
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-morpholin-4-ylbenzamide
CID 48987924
(2R)-N-(4-morpholin-4-ylphenyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanamide
CID 25408427
4-heptyl-3-[methyl-[2-(methylamino)ethyl]amino]benzaldehyde;2-methylbuta-1,3-diene;1-[4-morpholin-4-yl-3-[[(E)-pent-2-en-3-yl]oxymethyl]phenyl]pyrrolidin-2-one
CID 143093967

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methoxymethyl)-4-morpholin-4-ylphenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-(methoxymethyl)-4-morpholin-4-ylphenyl]pyrrolidin-2-one (CID 59165535) is 1-[3-(methoxymethyl)-4-morpholin-4-ylphenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-(methoxymethyl)-4-morpholin-4-ylphenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-(methoxymethyl)-4-morpholin-4-ylphenyl]pyrrolidin-2-one is COCc1cc(N2CCCC2=O)ccc1N1CCOCC1.
What is the InChIKey of 1-[3-(methoxymethyl)-4-morpholin-4-ylphenyl]pyrrolidin-2-one?
The InChIKey is ZAKOPKUTSFNOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-20-12-13-11-14(18-6-2-3-16(18)19)4-5-15(13)17-7-9-21-10-8-17/h4-5,11H,2-3,6-10,12H2,1H3.
What are the key properties of 1-[3-(methoxymethyl)-4-morpholin-4-ylphenyl]pyrrolidin-2-one?
1-[3-(methoxymethyl)-4-morpholin-4-ylphenyl]pyrrolidin-2-one has a molecular weight of 290.36 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methoxymethyl)-4-morpholin-4-ylphenyl]pyrrolidin-2-one is sourced from PubChem (CID 59165535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).