4-hydroxy-1-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-one

C12H22N2O3 — CID 79192941

IUPAC4-hydroxy-1-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-one
SMILESO=C(CCCO)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C12H22N2O3/c15-7-1-2-12(16)14-4-3-11(10-14)13-5-8-17-9-6-13/h11,15H,1-10H2
InChIKeyWTKMFRBUAPQBRA-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.31
Rot. Bonds4

About 4-hydroxy-1-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-one

4-hydroxy-1-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-one (PubChem CID 79192941) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-hydroxy-1-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-one.

Molecular Properties

Compound Name4-hydroxy-1-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-one
PubChem CID79192941
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name4-hydroxy-1-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-one
SMILESO=C(CCCO)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C12H22N2O3/c15-7-1-2-12(16)14-4-3-11(10-14)13-5-8-17-9-6-13/h11,15H,1-10H2
InChIKeyWTKMFRBUAPQBRA-UHFFFAOYSA-N
XLogP-0.31
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-hydroxy-1-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-one 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

4-hydroxy-1-(3-morpholin-4-ylpyrrolidin-1-yl)pentan-1-one
CID 79193090
1-(3-morpholin-4-ylpyrrolidin-1-yl)-3-piperidin-4-ylpropan-1-one
CID 63172005
2-(methylamino)-1-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone;dihydrochloride
CID 119858142
2-(cyclopropylamino)-1-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone
CID 63172093
5-hydroxy-1-morpholin-4-ylpentan-1-one
CID 54520383
5-oxo-5-(3-piperidin-1-ylpyrrolidin-1-yl)pentanoic acid
CID 63168015
6-oxo-6-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoic acid
CID 63168060
5-hydroxy-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-1-one
CID 79209523
2,2,2-trifluoro-1-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone
CID 64593046
2,2-dimethyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-one
CID 64592238
(1-aminocyclopentyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 55158587
1-(3-morpholin-4-ylpyrrolidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 63550050

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-one?
The IUPAC name of 4-hydroxy-1-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-one (CID 79192941) is 4-hydroxy-1-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-one.
What is the SMILES notation for 4-hydroxy-1-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-one?
The canonical SMILES for 4-hydroxy-1-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-one is O=C(CCCO)N1CCC(N2CCOCC2)C1.
What is the InChIKey of 4-hydroxy-1-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-one?
The InChIKey is WTKMFRBUAPQBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c15-7-1-2-12(16)14-4-3-11(10-14)13-5-8-17-9-6-13/h11,15H,1-10H2.
What are the key properties of 4-hydroxy-1-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-one?
4-hydroxy-1-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-one has a molecular weight of 242.32 g/mol, XLogP of -0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-one is sourced from PubChem (CID 79192941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).