3-[2-(4-fluorophenyl)morpholin-4-yl]-1-piperazin-1-ylpropan-1-one

C17H24FN3O2 — CID 120980907

IUPAC3-[2-(4-fluorophenyl)morpholin-4-yl]-1-piperazin-1-ylpropan-1-one
SMILESO=C(CCN1CCOC(c2ccc(F)cc2)C1)N1CCNCC1
InChIInChI=1S/C17H24FN3O2/c18-15-3-1-14(2-4-15)16-13-20(11-12-23-16)8-5-17(22)21-9-6-19-7-10-21/h1-4,16,19H,5-13H2
InChIKeyQXVOBFCRHDEOHH-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.02
Rot. Bonds4

About 3-[2-(4-fluorophenyl)morpholin-4-yl]-1-piperazin-1-ylpropan-1-one

3-[2-(4-fluorophenyl)morpholin-4-yl]-1-piperazin-1-ylpropan-1-one (PubChem CID 120980907) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)morpholin-4-yl]-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)morpholin-4-yl]-1-piperazin-1-ylpropan-1-one
PubChem CID120980907
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC Name3-[2-(4-fluorophenyl)morpholin-4-yl]-1-piperazin-1-ylpropan-1-one
SMILESO=C(CCN1CCOC(c2ccc(F)cc2)C1)N1CCNCC1
InChIInChI=1S/C17H24FN3O2/c18-15-3-1-14(2-4-15)16-13-20(11-12-23-16)8-5-17(22)21-9-6-19-7-10-21/h1-4,16,19H,5-13H2
InChIKeyQXVOBFCRHDEOHH-UHFFFAOYSA-N
XLogP1.02
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-(4-fluorophenyl)morpholin-4-yl]-1-piperazin-1-ylpropan-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

ethyl 5-[2-(4-fluorophenyl)morpholin-4-yl]pentanoate
CID 56875309
N-(2-fluorophenyl)-3-[2-(4-fluorophenyl)morpholin-4-yl]propanamide
CID 43065711
N-(2-fluorophenyl)-3-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]propanamide
CID 30891589
1-(4-fluorophenyl)-4-(2-phenylmorpholin-4-yl)butan-1-one
CID 2893561
2-chloro-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 51889846
3-(2-phenylmorpholin-4-yl)propanoic acid
CID 119134654
1-[2-(4-fluorophenyl)morpholin-4-yl]-3-methylsulfonylpropan-1-one
CID 131913070
6-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]hexan-1-one
CID 60963489
3-[2-(4-fluorophenyl)morpholin-4-yl]-N-(2-methoxyphenyl)propanamide
CID 43065717
1-[3-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropyl]azepan-2-one
CID 95222110
3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropanoic acid
CID 62231452
2-[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethyl]isoindole-1,3-dione
CID 36737030

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)morpholin-4-yl]-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-[2-(4-fluorophenyl)morpholin-4-yl]-1-piperazin-1-ylpropan-1-one (CID 120980907) is 3-[2-(4-fluorophenyl)morpholin-4-yl]-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-[2-(4-fluorophenyl)morpholin-4-yl]-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-[2-(4-fluorophenyl)morpholin-4-yl]-1-piperazin-1-ylpropan-1-one is O=C(CCN1CCOC(c2ccc(F)cc2)C1)N1CCNCC1.
What is the InChIKey of 3-[2-(4-fluorophenyl)morpholin-4-yl]-1-piperazin-1-ylpropan-1-one?
The InChIKey is QXVOBFCRHDEOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2/c18-15-3-1-14(2-4-15)16-13-20(11-12-23-16)8-5-17(22)21-9-6-19-7-10-21/h1-4,16,19H,5-13H2.
What are the key properties of 3-[2-(4-fluorophenyl)morpholin-4-yl]-1-piperazin-1-ylpropan-1-one?
3-[2-(4-fluorophenyl)morpholin-4-yl]-1-piperazin-1-ylpropan-1-one has a molecular weight of 321.40 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)morpholin-4-yl]-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 120980907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).