[2-(difluoromethoxy)phenyl]-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone

C17H13F6N3O2 — CID 133371027

IUPAC[2-(difluoromethoxy)phenyl]-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1OC(F)F)N1CCN(c2c(F)c(F)nc(F)c2F)CC1
InChIInChI=1S/C17H13F6N3O2/c18-11-13(12(19)15(21)24-14(11)20)25-5-7-26(8-6-25)16(27)9-3-1-2-4-10(9)28-17(22)23/h1-4,17H,5-8H2
InChIKeyPIALBOAUBDOTEX-UHFFFAOYSA-N
MW405.30 g/mol
LogP3.20
Rot. Bonds4

About [2-(difluoromethoxy)phenyl]-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone

[2-(difluoromethoxy)phenyl]-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone (PubChem CID 133371027) has the molecular formula C17H13F6N3O2 and a molecular weight of 405.30 g/mol. Its IUPAC name is [2-(difluoromethoxy)phenyl]-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(difluoromethoxy)phenyl]-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone
PubChem CID133371027
Molecular FormulaC17H13F6N3O2
Molecular Weight405.30 g/mol
Exact Mass405.09
IUPAC Name[2-(difluoromethoxy)phenyl]-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1OC(F)F)N1CCN(c2c(F)c(F)nc(F)c2F)CC1
InChIInChI=1S/C17H13F6N3O2/c18-11-13(12(19)15(21)24-14(11)20)25-5-7-26(8-6-25)16(27)9-3-1-2-4-10(9)28-17(22)23/h1-4,17H,5-8H2
InChIKeyPIALBOAUBDOTEX-UHFFFAOYSA-N
XLogP3.20
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.30
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze [2-(difluoromethoxy)phenyl]-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,3-dichlorophenyl)-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone
CID 133371366
1-[4-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]phenyl]ethanone
CID 26239975
(2-chloro-4-fluorophenyl)-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methanone
CID 55548039
[2-(difluoromethoxy)phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 43391804
1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55470739
[2-(difluoromethoxy)phenyl]-[4-(5-nitropyrimidin-2-yl)piperazin-1-yl]methanone
CID 133468139
(4-aminophenyl)-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methanone;hydrochloride
CID 119703716
1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 55548613
[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[2-(difluoromethoxy)phenyl]methanone
CID 34343631
[2-(difluoromethoxy)phenyl]-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 30280509
2-cyclohexyl-1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]ethanone
CID 134001998
4-amino-1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]butan-1-one
CID 119278804

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethoxy)phenyl]-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone?
The IUPAC name of [2-(difluoromethoxy)phenyl]-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone (CID 133371027) is [2-(difluoromethoxy)phenyl]-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-(difluoromethoxy)phenyl]-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-(difluoromethoxy)phenyl]-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone is O=C(c1ccccc1OC(F)F)N1CCN(c2c(F)c(F)nc(F)c2F)CC1.
What is the InChIKey of [2-(difluoromethoxy)phenyl]-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone?
The InChIKey is PIALBOAUBDOTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F6N3O2/c18-11-13(12(19)15(21)24-14(11)20)25-5-7-26(8-6-25)16(27)9-3-1-2-4-10(9)28-17(22)23/h1-4,17H,5-8H2.
What are the key properties of [2-(difluoromethoxy)phenyl]-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone?
[2-(difluoromethoxy)phenyl]-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone has a molecular weight of 405.30 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethoxy)phenyl]-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone is sourced from PubChem (CID 133371027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).