[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-(3-ethoxy-4-methoxyphenyl)methanone

C22H24F2N2O5 — CID 55548437

IUPAC[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-(3-ethoxy-4-methoxyphenyl)methanone
SMILESCCOc1cc(C(=O)N2CCN(C(=O)c3ccccc3OC(F)F)CC2)ccc1OC
InChIInChI=1S/C22H24F2N2O5/c1-3-30-19-14-15(8-9-18(19)29-2)20(27)25-10-12-26(13-11-25)21(28)16-6-4-5-7-17(16)31-22(23)24/h4-9,14,22H,3,10-13H2,1-2H3
InChIKeyGLHGXRKRWQVFJV-UHFFFAOYSA-N
MW434.44 g/mol
LogP3.29
Rot. Bonds7

About [4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-(3-ethoxy-4-methoxyphenyl)methanone

[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-(3-ethoxy-4-methoxyphenyl)methanone (PubChem CID 55548437) has the molecular formula C22H24F2N2O5 and a molecular weight of 434.44 g/mol. Its IUPAC name is [4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-(3-ethoxy-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-(3-ethoxy-4-methoxyphenyl)methanone
PubChem CID55548437
Molecular FormulaC22H24F2N2O5
Molecular Weight434.44 g/mol
Exact Mass434.17
IUPAC Name[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-(3-ethoxy-4-methoxyphenyl)methanone
SMILESCCOc1cc(C(=O)N2CCN(C(=O)c3ccccc3OC(F)F)CC2)ccc1OC
InChIInChI=1S/C22H24F2N2O5/c1-3-30-19-14-15(8-9-18(19)29-2)20(27)25-10-12-26(13-11-25)21(28)16-6-4-5-7-17(16)31-22(23)24/h4-9,14,22H,3,10-13H2,1-2H3
InChIKeyGLHGXRKRWQVFJV-UHFFFAOYSA-N
XLogP3.29
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.44
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 55548173
1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-4-(2-ethoxyphenoxy)butan-1-one
CID 55548555
(4-aminophenyl)-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methanone;hydrochloride
CID 119703716
(3-ethoxy-4-methoxyphenyl)-piperazin-1-ylmethanone
CID 39260978
2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(2-ethoxyphenyl)propanamide
CID 42888082
2-[4-[3-(difluoromethoxy)-4-methoxybenzoyl]piperazin-1-yl]-N-phenylacetamide
CID 46493465
[4-(difluoromethoxy)-3-ethoxyphenyl]-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]methanone
CID 19292969
1-[4-(2-ethoxybenzoyl)piperazin-1-yl]ethanone
CID 78795110
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 1074740
[4-(difluoromethoxy)-3-methoxyphenyl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 9105975
1-[4-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]phenyl]ethanone
CID 26239975
(4-ethylphenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone
CID 32770368

Frequently Asked Questions

What is the IUPAC name of [4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-(3-ethoxy-4-methoxyphenyl)methanone?
The IUPAC name of [4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-(3-ethoxy-4-methoxyphenyl)methanone (CID 55548437) is [4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-(3-ethoxy-4-methoxyphenyl)methanone.
What is the SMILES notation for [4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-(3-ethoxy-4-methoxyphenyl)methanone?
The canonical SMILES for [4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-(3-ethoxy-4-methoxyphenyl)methanone is CCOc1cc(C(=O)N2CCN(C(=O)c3ccccc3OC(F)F)CC2)ccc1OC.
What is the InChIKey of [4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-(3-ethoxy-4-methoxyphenyl)methanone?
The InChIKey is GLHGXRKRWQVFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N2O5/c1-3-30-19-14-15(8-9-18(19)29-2)20(27)25-10-12-26(13-11-25)21(28)16-6-4-5-7-17(16)31-22(23)24/h4-9,14,22H,3,10-13H2,1-2H3.
What are the key properties of [4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-(3-ethoxy-4-methoxyphenyl)methanone?
[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-(3-ethoxy-4-methoxyphenyl)methanone has a molecular weight of 434.44 g/mol, XLogP of 3.29, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-(3-ethoxy-4-methoxyphenyl)methanone is sourced from PubChem (CID 55548437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).