2-(2-fluorophenyl)-1-[4-(morpholine-3-carbonyl)piperazin-1-yl]ethanone;hydrochloride

C17H23ClFN3O3 — CID 119754847

IUPAC2-(2-fluorophenyl)-1-[4-(morpholine-3-carbonyl)piperazin-1-yl]ethanone;hydrochloride
SMILESCl.O=C(Cc1ccccc1F)N1CCN(C(=O)C2COCCN2)CC1
InChIInChI=1S/C17H22FN3O3.ClH/c18-14-4-2-1-3-13(14)11-16(22)20-6-8-21(9-7-20)17(23)15-12-24-10-5-19-15;/h1-4,15,19H,5-12H2;1H
InChIKeyLJWYRDCTBLWDQN-UHFFFAOYSA-N
MW371.84 g/mol
LogP0.45
Rot. Bonds3

About 2-(2-fluorophenyl)-1-[4-(morpholine-3-carbonyl)piperazin-1-yl]ethanone;hydrochloride

2-(2-fluorophenyl)-1-[4-(morpholine-3-carbonyl)piperazin-1-yl]ethanone;hydrochloride (PubChem CID 119754847) has the molecular formula C17H23ClFN3O3 and a molecular weight of 371.84 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-[4-(morpholine-3-carbonyl)piperazin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-[4-(morpholine-3-carbonyl)piperazin-1-yl]ethanone;hydrochloride
PubChem CID119754847
Molecular FormulaC17H23ClFN3O3
Molecular Weight371.84 g/mol
Exact Mass371.14
IUPAC Name2-(2-fluorophenyl)-1-[4-(morpholine-3-carbonyl)piperazin-1-yl]ethanone;hydrochloride
SMILESCl.O=C(Cc1ccccc1F)N1CCN(C(=O)C2COCCN2)CC1
InChIInChI=1S/C17H22FN3O3.ClH/c18-14-4-2-1-3-13(14)11-16(22)20-6-8-21(9-7-20)17(23)15-12-24-10-5-19-15;/h1-4,15,19H,5-12H2;1H
InChIKeyLJWYRDCTBLWDQN-UHFFFAOYSA-N
XLogP0.45
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.84
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluorophenyl)-1-[4-(piperidine-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride
CID 119306855
[4-(2-fluorophenyl)piperazin-1-yl]-[(3S)-morpholin-3-yl]methanone
CID 124513191
[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-morpholin-3-ylmethanone
CID 119854290
[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-morpholin-3-ylmethanone;hydrochloride
CID 119710339
1-[4-(morpholine-3-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone;dihydrochloride
CID 119875990
[4-(2,5-difluorophenyl)piperazin-1-yl]-morpholin-3-ylmethanone
CID 119887859
[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-morpholin-3-ylmethanone;hydrochloride
CID 119743440
1-[4-(morpholine-3-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 119840026
[(3R)-morpholin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 130992240
3,4-dihydro-1H-isoquinolin-2-yl(morpholin-3-yl)methanone;hydrochloride
CID 119669619
morpholin-3-yl-(4-phenylmethoxypiperidin-1-yl)methanone;hydrochloride
CID 119697027
1-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-2-(2-fluorophenyl)ethanone
CID 110797870

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-[4-(morpholine-3-carbonyl)piperazin-1-yl]ethanone;hydrochloride?
The IUPAC name of 2-(2-fluorophenyl)-1-[4-(morpholine-3-carbonyl)piperazin-1-yl]ethanone;hydrochloride (CID 119754847) is 2-(2-fluorophenyl)-1-[4-(morpholine-3-carbonyl)piperazin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-(2-fluorophenyl)-1-[4-(morpholine-3-carbonyl)piperazin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2-(2-fluorophenyl)-1-[4-(morpholine-3-carbonyl)piperazin-1-yl]ethanone;hydrochloride is Cl.O=C(Cc1ccccc1F)N1CCN(C(=O)C2COCCN2)CC1.
What is the InChIKey of 2-(2-fluorophenyl)-1-[4-(morpholine-3-carbonyl)piperazin-1-yl]ethanone;hydrochloride?
The InChIKey is LJWYRDCTBLWDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O3.ClH/c18-14-4-2-1-3-13(14)11-16(22)20-6-8-21(9-7-20)17(23)15-12-24-10-5-19-15;/h1-4,15,19H,5-12H2;1H.
What are the key properties of 2-(2-fluorophenyl)-1-[4-(morpholine-3-carbonyl)piperazin-1-yl]ethanone;hydrochloride?
2-(2-fluorophenyl)-1-[4-(morpholine-3-carbonyl)piperazin-1-yl]ethanone;hydrochloride has a molecular weight of 371.84 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-[4-(morpholine-3-carbonyl)piperazin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 119754847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).