1-[2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanone

C16H22N2O2 — CID 63170469

IUPAC1-[2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanone
SMILESCC(=O)c1ccccc1N1CCC(N2CCOCC2)C1
InChIInChI=1S/C16H22N2O2/c1-13(19)15-4-2-3-5-16(15)18-7-6-14(12-18)17-8-10-20-11-9-17/h2-5,14H,6-12H2,1H3
InChIKeyWTININXZHREGCF-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.80
Rot. Bonds3

About 1-[2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanone

1-[2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanone (PubChem CID 63170469) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-[2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanone
PubChem CID63170469
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-[2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanone
SMILESCC(=O)c1ccccc1N1CCC(N2CCOCC2)C1
InChIInChI=1S/C16H22N2O2/c1-13(19)15-4-2-3-5-16(15)18-7-6-14(12-18)17-8-10-20-11-9-17/h2-5,14H,6-12H2,1H3
InChIKeyWTININXZHREGCF-UHFFFAOYSA-N
XLogP1.80
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanone 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

1-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]ethanone
CID 79938702
3-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)benzoic acid
CID 107112174
4-bromo-2-(3-morpholin-4-ylpyrrolidin-1-yl)benzoic acid
CID 63170298
1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]propan-1-one
CID 115994624
(2-methylphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 110472085
4-[1-(3-fluoro-2-nitrophenyl)pyrrolidin-3-yl]morpholine
CID 63171297
2-amino-5-(3-morpholin-4-ylpyrrolidin-1-yl)benzoic acid
CID 63174659
2-fluoro-6-(3-morpholin-4-ylpyrrolidin-1-yl)aniline
CID 63168190
1-[2-(4-ethylpiperidin-1-yl)phenyl]ethanone
CID 61420820
1-[5-bromo-2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanol
CID 82958133
(2-aminophenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone;dihydrochloride
CID 119946729
1-(2-chlorophenyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone
CID 63170720

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanone?
The IUPAC name of 1-[2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanone (CID 63170469) is 1-[2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-[2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanone?
The canonical SMILES for 1-[2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanone is CC(=O)c1ccccc1N1CCC(N2CCOCC2)C1.
What is the InChIKey of 1-[2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanone?
The InChIKey is WTININXZHREGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-13(19)15-4-2-3-5-16(15)18-7-6-14(12-18)17-8-10-20-11-9-17/h2-5,14H,6-12H2,1H3.
What are the key properties of 1-[2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanone?
1-[2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanone has a molecular weight of 274.36 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanone is sourced from PubChem (CID 63170469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).