1-[2-[4-[4-(difluoromethoxy)-3-methoxybenzoyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

C19H21F2N3O6 — CID 55826399

IUPAC1-[2-[4-[4-(difluoromethoxy)-3-methoxybenzoyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
SMILESCOc1cc(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)ccc1OC(F)F
InChIInChI=1S/C19H21F2N3O6/c1-29-14-10-12(2-3-13(14)30-19(20)21)18(28)23-8-6-22(7-9-23)17(27)11-24-15(25)4-5-16(24)26/h2-3,10,19H,4-9,11H2,1H3
InChIKeyYJKZYGDDWSEPBG-UHFFFAOYSA-N
MW425.39 g/mol
LogP0.73
Rot. Bonds6

About 1-[2-[4-[4-(difluoromethoxy)-3-methoxybenzoyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

1-[2-[4-[4-(difluoromethoxy)-3-methoxybenzoyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione (PubChem CID 55826399) has the molecular formula C19H21F2N3O6 and a molecular weight of 425.39 g/mol. Its IUPAC name is 1-[2-[4-[4-(difluoromethoxy)-3-methoxybenzoyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[4-[4-(difluoromethoxy)-3-methoxybenzoyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
PubChem CID55826399
Molecular FormulaC19H21F2N3O6
Molecular Weight425.39 g/mol
Exact Mass425.14
IUPAC Name1-[2-[4-[4-(difluoromethoxy)-3-methoxybenzoyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
SMILESCOc1cc(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)ccc1OC(F)F
InChIInChI=1S/C19H21F2N3O6/c1-29-14-10-12(2-3-13(14)30-19(20)21)18(28)23-8-6-22(7-9-23)17(27)11-24-15(25)4-5-16(24)26/h2-3,10,19H,4-9,11H2,1H3
InChIKeyYJKZYGDDWSEPBG-UHFFFAOYSA-N
XLogP0.73
TPSA96.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.39
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[2-[4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 55826784
(4-aminopiperidin-1-yl)-[4-(difluoromethoxy)-3-methoxyphenyl]methanone;hydrochloride
CID 119376566
[4-(difluoromethoxy)-3-methoxyphenyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 17461515
[4-(difluoromethoxy)-3-methoxyphenyl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 9105975
[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-[4-(difluoromethoxy)-3-methoxyphenyl]methanone
CID 27563113
[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-[4-(difluoromethoxy)-3-methoxyphenyl]methanone
CID 27847235
(3S,4S)-1-[4-(difluoromethoxy)-3-methoxybenzoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120952594
[4-(difluoromethoxy)-3-methoxyphenyl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 17476869
4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]benzamide
CID 55588222
4-(difluoromethoxy)-3-methoxy-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 55349529
[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-(3-ethoxy-4-methoxyphenyl)methanone
CID 55548437
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[4-(difluoromethoxy)-3-methoxyphenyl]methanone
CID 120657561

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[4-(difluoromethoxy)-3-methoxybenzoyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[4-[4-(difluoromethoxy)-3-methoxybenzoyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione (CID 55826399) is 1-[2-[4-[4-(difluoromethoxy)-3-methoxybenzoyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[4-[4-(difluoromethoxy)-3-methoxybenzoyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[4-[4-(difluoromethoxy)-3-methoxybenzoyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione is COc1cc(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)ccc1OC(F)F.
What is the InChIKey of 1-[2-[4-[4-(difluoromethoxy)-3-methoxybenzoyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The InChIKey is YJKZYGDDWSEPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O6/c1-29-14-10-12(2-3-13(14)30-19(20)21)18(28)23-8-6-22(7-9-23)17(27)11-24-15(25)4-5-16(24)26/h2-3,10,19H,4-9,11H2,1H3.
What are the key properties of 1-[2-[4-[4-(difluoromethoxy)-3-methoxybenzoyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
1-[2-[4-[4-(difluoromethoxy)-3-methoxybenzoyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione has a molecular weight of 425.39 g/mol, XLogP of 0.73, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[4-(difluoromethoxy)-3-methoxybenzoyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 55826399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).