1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-4-(3-fluorophenoxy)butan-1-one

C20H30FN3O5S — CID 55939893

IUPAC1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-4-(3-fluorophenoxy)butan-1-one
SMILESCC1CN(S(=O)(=O)N2CCN(C(=O)CCCOc3cccc(F)c3)CC2)CC(C)O1
InChIInChI=1S/C20H30FN3O5S/c1-16-14-24(15-17(2)29-16)30(26,27)23-10-8-22(9-11-23)20(25)7-4-12-28-19-6-3-5-18(21)13-19/h3,5-6,13,16-17H,4,7-12,14-15H2,1-2H3
InChIKeyODDNRWKOARWQFV-UHFFFAOYSA-N
MW443.54 g/mol
LogP1.48
Rot. Bonds7

About 1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-4-(3-fluorophenoxy)butan-1-one

1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-4-(3-fluorophenoxy)butan-1-one (PubChem CID 55939893) has the molecular formula C20H30FN3O5S and a molecular weight of 443.54 g/mol. Its IUPAC name is 1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-4-(3-fluorophenoxy)butan-1-one.

Molecular Properties

Compound Name1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-4-(3-fluorophenoxy)butan-1-one
PubChem CID55939893
Molecular FormulaC20H30FN3O5S
Molecular Weight443.54 g/mol
Exact Mass443.19
IUPAC Name1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-4-(3-fluorophenoxy)butan-1-one
SMILESCC1CN(S(=O)(=O)N2CCN(C(=O)CCCOc3cccc(F)c3)CC2)CC(C)O1
InChIInChI=1S/C20H30FN3O5S/c1-16-14-24(15-17(2)29-16)30(26,27)23-10-8-22(9-11-23)20(25)7-4-12-28-19-6-3-5-18(21)13-19/h3,5-6,13,16-17H,4,7-12,14-15H2,1-2H3
InChIKeyODDNRWKOARWQFV-UHFFFAOYSA-N
XLogP1.48
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.54
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-4-(3-fluorophenoxy)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-(3-fluorophenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one
CID 119563084
1-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-2-phenoxyethanone
CID 51937065
(2R,6R)-N-[2-(3-fluorophenoxy)ethyl]-2,6-dimethylmorpholine-4-sulfonamide
CID 51946091
1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-3-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 55617869
1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-4-(4-methoxyphenoxy)butan-1-one
CID 24687869
1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-4-(3-fluorophenoxy)butan-1-one
CID 55939281
1-[4-(3-aminopropoxy)piperidin-1-yl]-4-(3-fluorophenoxy)butan-1-one;hydrochloride
CID 119663996
4-(3-fluorophenoxy)-1-(2,4,5-trimethylpiperazin-1-yl)butan-1-one
CID 75396981
3-(3-fluorophenoxy)-1-piperidin-1-ylpropan-1-one
CID 60739345
3-(3-fluorophenoxy)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 62916919
4-(3-fluorophenoxy)-1-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]butan-1-one
CID 55941073
N-benzyl-1-[4-(3-fluorophenoxy)butanoyl]piperidine-4-carboxamide
CID 87039839

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-4-(3-fluorophenoxy)butan-1-one?
The IUPAC name of 1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-4-(3-fluorophenoxy)butan-1-one (CID 55939893) is 1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-4-(3-fluorophenoxy)butan-1-one.
What is the SMILES notation for 1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-4-(3-fluorophenoxy)butan-1-one?
The canonical SMILES for 1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-4-(3-fluorophenoxy)butan-1-one is CC1CN(S(=O)(=O)N2CCN(C(=O)CCCOc3cccc(F)c3)CC2)CC(C)O1.
What is the InChIKey of 1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-4-(3-fluorophenoxy)butan-1-one?
The InChIKey is ODDNRWKOARWQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FN3O5S/c1-16-14-24(15-17(2)29-16)30(26,27)23-10-8-22(9-11-23)20(25)7-4-12-28-19-6-3-5-18(21)13-19/h3,5-6,13,16-17H,4,7-12,14-15H2,1-2H3.
What are the key properties of 1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-4-(3-fluorophenoxy)butan-1-one?
1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-4-(3-fluorophenoxy)butan-1-one has a molecular weight of 443.54 g/mol, XLogP of 1.48, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-4-(3-fluorophenoxy)butan-1-one is sourced from PubChem (CID 55939893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).