1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione

C18H21F2N3O5 — CID 55470739

IUPAC1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
SMILESO=C(C(=O)N1CCN(C(=O)c2ccccc2OC(F)F)CC1)N1CCOCC1
InChIInChI=1S/C18H21F2N3O5/c19-18(20)28-14-4-2-1-3-13(14)15(24)21-5-7-22(8-6-21)16(25)17(26)23-9-11-27-12-10-23/h1-4,18H,5-12H2
InChIKeyNHVYBCYSFLSETP-UHFFFAOYSA-N
MW397.38 g/mol
LogP0.43
Rot. Bonds3

About 1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione

1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione (PubChem CID 55470739) has the molecular formula C18H21F2N3O5 and a molecular weight of 397.38 g/mol. Its IUPAC name is 1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione.

Molecular Properties

Compound Name1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
PubChem CID55470739
Molecular FormulaC18H21F2N3O5
Molecular Weight397.38 g/mol
Exact Mass397.14
IUPAC Name1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
SMILESO=C(C(=O)N1CCN(C(=O)c2ccccc2OC(F)F)CC1)N1CCOCC1
InChIInChI=1S/C18H21F2N3O5/c19-18(20)28-14-4-2-1-3-13(14)15(24)21-5-7-22(8-6-21)16(25)17(26)23-9-11-27-12-10-23/h1-4,18H,5-12H2
InChIKeyNHVYBCYSFLSETP-UHFFFAOYSA-N
XLogP0.43
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.38
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(difluoromethoxy)phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 43391804
(4-aminophenyl)-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methanone;hydrochloride
CID 119703716
1-[4-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]phenyl]ethanone
CID 26239975
[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[2-(difluoromethoxy)phenyl]methanone
CID 34343631
(2-chloro-4-fluorophenyl)-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methanone
CID 55548039
4-amino-1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]butan-1-one
CID 119278804
[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 55548173
[2-(aminomethyl)morpholin-4-yl]-[2-(difluoromethoxy)phenyl]methanone
CID 61337007
1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 55548613
[2-(difluoromethoxy)phenyl]-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone
CID 133371027
N-cyclopropyl-2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]acetamide
CID 35373996
[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-[(2S)-2,3-dihydro-1-benzofuran-2-yl]methanone
CID 51932724

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione?
The IUPAC name of 1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione (CID 55470739) is 1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione.
What is the SMILES notation for 1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione?
The canonical SMILES for 1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione is O=C(C(=O)N1CCN(C(=O)c2ccccc2OC(F)F)CC1)N1CCOCC1.
What is the InChIKey of 1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione?
The InChIKey is NHVYBCYSFLSETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O5/c19-18(20)28-14-4-2-1-3-13(14)15(24)21-5-7-22(8-6-21)16(25)17(26)23-9-11-27-12-10-23/h1-4,18H,5-12H2.
What are the key properties of 1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione?
1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione has a molecular weight of 397.38 g/mol, XLogP of 0.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione is sourced from PubChem (CID 55470739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).