2-[2-(difluoromethoxy)phenyl]-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone

C20H22F2N2O3 — CID 120732889

IUPAC2-[2-(difluoromethoxy)phenyl]-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccccc1C1CNCCN1C(=O)Cc1ccccc1OC(F)F
InChIInChI=1S/C20H22F2N2O3/c1-26-18-9-5-3-7-15(18)16-13-23-10-11-24(16)19(25)12-14-6-2-4-8-17(14)27-20(21)22/h2-9,16,20,23H,10-13H2,1H3
InChIKeyYFOGETBVBGPNHS-UHFFFAOYSA-N
MW376.40 g/mol
LogP3.01
Rot. Bonds6

About 2-[2-(difluoromethoxy)phenyl]-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone

2-[2-(difluoromethoxy)phenyl]-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone (PubChem CID 120732889) has the molecular formula C20H22F2N2O3 and a molecular weight of 376.40 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)phenyl]-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)phenyl]-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
PubChem CID120732889
Molecular FormulaC20H22F2N2O3
Molecular Weight376.40 g/mol
Exact Mass376.16
IUPAC Name2-[2-(difluoromethoxy)phenyl]-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccccc1C1CNCCN1C(=O)Cc1ccccc1OC(F)F
InChIInChI=1S/C20H22F2N2O3/c1-26-18-9-5-3-7-15(18)16-13-23-10-11-24(16)19(25)12-14-6-2-4-8-17(14)27-20(21)22/h2-9,16,20,23H,10-13H2,1H3
InChIKeyYFOGETBVBGPNHS-UHFFFAOYSA-N
XLogP3.01
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-difluorophenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 120735387
1-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyphenyl)piperazine
CID 120753405
2-(2-methoxy-5-methylphenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 120734683
2-(3-fluorophenyl)-1-[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 129465770
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 120733863
2-(1-benzothiophen-3-yl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120733235
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 120734995
2-(2,3-dihydro-1H-inden-5-yl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 120734383
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(1H-pyrazol-5-yl)ethanone;dihydrochloride
CID 120733408
2-(3-chlorophenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120733916
2-(diethylamino)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 120733069
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenylbutane-1,4-dione
CID 120735113

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)phenyl]-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[2-(difluoromethoxy)phenyl]-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone (CID 120732889) is 2-[2-(difluoromethoxy)phenyl]-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[2-(difluoromethoxy)phenyl]-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[2-(difluoromethoxy)phenyl]-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone is COc1ccccc1C1CNCCN1C(=O)Cc1ccccc1OC(F)F.
What is the InChIKey of 2-[2-(difluoromethoxy)phenyl]-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The InChIKey is YFOGETBVBGPNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O3/c1-26-18-9-5-3-7-15(18)16-13-23-10-11-24(16)19(25)12-14-6-2-4-8-17(14)27-20(21)22/h2-9,16,20,23H,10-13H2,1H3.
What are the key properties of 2-[2-(difluoromethoxy)phenyl]-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone?
2-[2-(difluoromethoxy)phenyl]-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone has a molecular weight of 376.40 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxy)phenyl]-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 120732889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).