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

C16H22FN3O2 — CID 120756389

IUPAC2-[2-(3-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylethanone
SMILESO=C(CN1CCNCC1c1cccc(F)c1)N1CCOCC1
InChIInChI=1S/C16H22FN3O2/c17-14-3-1-2-13(10-14)15-11-18-4-5-20(15)12-16(21)19-6-8-22-9-7-19/h1-3,10,15,18H,4-9,11-12H2
InChIKeyYLGCCMDPUNJJBF-UHFFFAOYSA-N
MW307.37 g/mol
LogP0.63
Rot. Bonds3

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

2-[2-(3-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 120756389) has the molecular formula C16H22FN3O2 and a molecular weight of 307.37 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylethanone
PubChem CID120756389
Molecular FormulaC16H22FN3O2
Molecular Weight307.37 g/mol
Exact Mass307.17
IUPAC Name2-[2-(3-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylethanone
SMILESO=C(CN1CCNCC1c1cccc(F)c1)N1CCOCC1
InChIInChI=1S/C16H22FN3O2/c17-14-3-1-2-13(10-14)15-11-18-4-5-20(15)12-16(21)19-6-8-22-9-7-19/h1-3,10,15,18H,4-9,11-12H2
InChIKeyYLGCCMDPUNJJBF-UHFFFAOYSA-N
XLogP0.63
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-chlorophenyl)piperazin-1-yl]-1-morpholin-4-ylethanone;hydrochloride
CID 120770750
2-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 125007525
N-cyclopropyl-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide
CID 120756405
N-(4-fluorophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756678
N-(2,6-dichlorophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756950
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-propylacetamide
CID 120756453
3-[(2S,4R)-2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 96519422
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(3-methylbutan-2-yl)acetamide;hydrochloride
CID 120756468
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide;hydrochloride
CID 120756714
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride
CID 120756456
N-[2-(2,6-difluorophenyl)ethyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120757114
N-[2-(4-fluorophenyl)ethyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide
CID 120756211

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[2-(3-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylethanone (CID 120756389) is 2-[2-(3-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[2-(3-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[2-(3-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylethanone is O=C(CN1CCNCC1c1cccc(F)c1)N1CCOCC1.
What is the InChIKey of 2-[2-(3-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is YLGCCMDPUNJJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O2/c17-14-3-1-2-13(10-14)15-11-18-4-5-20(15)12-16(21)19-6-8-22-9-7-19/h1-3,10,15,18H,4-9,11-12H2.
What are the key properties of 2-[2-(3-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylethanone?
2-[2-(3-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 307.37 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 120756389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).