2-(4-fluorophenyl)-1-[4-(morpholine-4-carbonyl)piperazin-1-yl]ethanone

C17H22FN3O3 — CID 110365721

IUPAC2-(4-fluorophenyl)-1-[4-(morpholine-4-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C17H22FN3O3/c18-15-3-1-14(2-4-15)13-16(22)19-5-7-20(8-6-19)17(23)21-9-11-24-12-10-21/h1-4H,5-13H2
InChIKeyYJMVLBNAPCLKRW-UHFFFAOYSA-N
MW335.38 g/mol
LogP0.96
Rot. Bonds2

About 2-(4-fluorophenyl)-1-[4-(morpholine-4-carbonyl)piperazin-1-yl]ethanone

2-(4-fluorophenyl)-1-[4-(morpholine-4-carbonyl)piperazin-1-yl]ethanone (PubChem CID 110365721) has the molecular formula C17H22FN3O3 and a molecular weight of 335.38 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[4-(morpholine-4-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[4-(morpholine-4-carbonyl)piperazin-1-yl]ethanone
PubChem CID110365721
Molecular FormulaC17H22FN3O3
Molecular Weight335.38 g/mol
Exact Mass335.16
IUPAC Name2-(4-fluorophenyl)-1-[4-(morpholine-4-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C17H22FN3O3/c18-15-3-1-14(2-4-15)13-16(22)19-5-7-20(8-6-19)17(23)21-9-11-24-12-10-21/h1-4H,5-13H2
InChIKeyYJMVLBNAPCLKRW-UHFFFAOYSA-N
XLogP0.96
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-1-[4-[2-(4-fluorophenyl)acetyl]-1,4-diazepan-1-yl]ethanone
CID 110798689
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 78804359
methyl 4-[2-(4-fluorophenyl)acetyl]piperazine-1-carboxylate
CID 110365716
1-[4-[2-(4-chlorophenyl)acetyl]-1,4-diazepan-1-yl]-2-(4-fluorophenyl)ethanone
CID 110359111
1-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3-methylbutan-1-one
CID 110365702
2-(4-fluorophenyl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone
CID 110721522
2-(4-fluorophenyl)sulfonyl-1-morpholin-4-ylethanone
CID 1486407
1-morpholin-4-yl-2-(4-nitrophenyl)ethanone
CID 5170165
2-(4-fluorophenyl)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethanone
CID 95337967
2-(3,4-dichlorophenyl)-1-morpholin-4-ylethanone
CID 1485657
1-(4-cyclopentylpiperazin-1-yl)-2-(4-fluorophenyl)ethanone
CID 110708885
1-(4-benzylpiperazin-1-yl)-2-(4-fluorophenyl)ethanone
CID 21241521

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[4-(morpholine-4-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[4-(morpholine-4-carbonyl)piperazin-1-yl]ethanone (CID 110365721) is 2-(4-fluorophenyl)-1-[4-(morpholine-4-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[4-(morpholine-4-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[4-(morpholine-4-carbonyl)piperazin-1-yl]ethanone is O=C(Cc1ccc(F)cc1)N1CCN(C(=O)N2CCOCC2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[4-(morpholine-4-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is YJMVLBNAPCLKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O3/c18-15-3-1-14(2-4-15)13-16(22)19-5-7-20(8-6-19)17(23)21-9-11-24-12-10-21/h1-4H,5-13H2.
What are the key properties of 2-(4-fluorophenyl)-1-[4-(morpholine-4-carbonyl)piperazin-1-yl]ethanone?
2-(4-fluorophenyl)-1-[4-(morpholine-4-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 335.38 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[4-(morpholine-4-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 110365721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).