1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-morpholin-4-ylsulfonylpropan-1-one

C18H26FN3O4S — CID 110310475

IUPAC1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-morpholin-4-ylsulfonylpropan-1-one
SMILESCN1CCN(C(=O)CCS(=O)(=O)N2CCOCC2)CC1c1ccccc1F
InChIInChI=1S/C18H26FN3O4S/c1-20-7-8-21(14-17(20)15-4-2-3-5-16(15)19)18(23)6-13-27(24,25)22-9-11-26-12-10-22/h2-5,17H,6-14H2,1H3
InChIKeyFAAITHLZXFDUFY-UHFFFAOYSA-N
MW399.49 g/mol
LogP0.69
Rot. Bonds5

About 1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-morpholin-4-ylsulfonylpropan-1-one

1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-morpholin-4-ylsulfonylpropan-1-one (PubChem CID 110310475) has the molecular formula C18H26FN3O4S and a molecular weight of 399.49 g/mol. Its IUPAC name is 1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-morpholin-4-ylsulfonylpropan-1-one.

Molecular Properties

Compound Name1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-morpholin-4-ylsulfonylpropan-1-one
PubChem CID110310475
Molecular FormulaC18H26FN3O4S
Molecular Weight399.49 g/mol
Exact Mass399.16
IUPAC Name1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-morpholin-4-ylsulfonylpropan-1-one
SMILESCN1CCN(C(=O)CCS(=O)(=O)N2CCOCC2)CC1c1ccccc1F
InChIInChI=1S/C18H26FN3O4S/c1-20-7-8-21(14-17(20)15-4-2-3-5-16(15)19)18(23)6-13-27(24,25)22-9-11-26-12-10-22/h2-5,17H,6-14H2,1H3
InChIKeyFAAITHLZXFDUFY-UHFFFAOYSA-N
XLogP0.69
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-phenylpropan-1-one
CID 110293052
1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 110310464
1-(4-chlorophenyl)-4-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]butane-1,4-dione
CID 110310485
1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-4-(4-methylphenyl)butane-1,4-dione
CID 110310462
1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-2-thiophen-2-ylethanone
CID 110293046
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-methylsulfonylpropan-1-one
CID 110631963
(E)-1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-one
CID 110310490
3-(benzenesulfonyl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one
CID 110416820
[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 110293021
[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-(furan-2-yl)methanone
CID 110293024
2-(4-ethoxyphenyl)-1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]ethanone
CID 110293051
1-(3-hydroxypyrrolidin-1-yl)-3-morpholin-4-ylsulfonylpropan-1-one
CID 62918616

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-morpholin-4-ylsulfonylpropan-1-one?
The IUPAC name of 1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-morpholin-4-ylsulfonylpropan-1-one (CID 110310475) is 1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-morpholin-4-ylsulfonylpropan-1-one.
What is the SMILES notation for 1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-morpholin-4-ylsulfonylpropan-1-one?
The canonical SMILES for 1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-morpholin-4-ylsulfonylpropan-1-one is CN1CCN(C(=O)CCS(=O)(=O)N2CCOCC2)CC1c1ccccc1F.
What is the InChIKey of 1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-morpholin-4-ylsulfonylpropan-1-one?
The InChIKey is FAAITHLZXFDUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O4S/c1-20-7-8-21(14-17(20)15-4-2-3-5-16(15)19)18(23)6-13-27(24,25)22-9-11-26-12-10-22/h2-5,17H,6-14H2,1H3.
What are the key properties of 1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-morpholin-4-ylsulfonylpropan-1-one?
1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-morpholin-4-ylsulfonylpropan-1-one has a molecular weight of 399.49 g/mol, XLogP of 0.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-morpholin-4-ylsulfonylpropan-1-one is sourced from PubChem (CID 110310475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).