4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-2-ethylphthalazin-1-one

C17H20F2N4O2 — CID 49071749

IUPAC4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-2-ethylphthalazin-1-one
SMILESCCn1nc(C(=O)N2CCN(CC(F)F)CC2)c2ccccc2c1=O
InChIInChI=1S/C17H20F2N4O2/c1-2-23-16(24)13-6-4-3-5-12(13)15(20-23)17(25)22-9-7-21(8-10-22)11-14(18)19/h3-6,14H,2,7-11H2,1H3
InChIKeyJCZBBLOLFSZOGD-UHFFFAOYSA-N
MW350.37 g/mol
LogP1.44
Rot. Bonds4

About 4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-2-ethylphthalazin-1-one

4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-2-ethylphthalazin-1-one (PubChem CID 49071749) has the molecular formula C17H20F2N4O2 and a molecular weight of 350.37 g/mol. Its IUPAC name is 4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-2-ethylphthalazin-1-one.

Molecular Properties

Compound Name4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-2-ethylphthalazin-1-one
PubChem CID49071749
Molecular FormulaC17H20F2N4O2
Molecular Weight350.37 g/mol
Exact Mass350.16
IUPAC Name4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-2-ethylphthalazin-1-one
SMILESCCn1nc(C(=O)N2CCN(CC(F)F)CC2)c2ccccc2c1=O
InChIInChI=1S/C17H20F2N4O2/c1-2-23-16(24)13-6-4-3-5-12(13)15(20-23)17(25)22-9-7-21(8-10-22)11-14(18)19/h3-6,14H,2,7-11H2,1H3
InChIKeyJCZBBLOLFSZOGD-UHFFFAOYSA-N
XLogP1.44
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(azetidine-1-carbonyl)-2-ethylphthalazin-1-one
CID 26925219
2-ethyl-4-(4-methoxypiperidine-1-carbonyl)phthalazin-1-one
CID 56810543
4-[4-(4,5-difluoro-2-methoxyphenyl)piperazine-1-carbonyl]-2-ethylphthalazin-1-one
CID 171630933
1-(3-ethyl-4-oxophthalazine-1-carbonyl)-4-phenylpiperidine-4-carboxylic acid
CID 45433439
2-ethyl-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phthalazin-1-one
CID 26912236
2-ethyl-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]phthalazin-1-one
CID 7921160
2-butyl-4-(4-methylpiperazine-1-carbonyl)phthalazin-1-one
CID 9452362
4-[4-[(1E,3E)-1,4-diamino-3-methoxybuta-1,3-dienyl]piperazine-1-carbonyl]-2-ethylphthalazin-1-one
CID 171630530
6-[4-(3-ethyl-4-oxophthalazine-1-carbonyl)piperazin-1-yl]-5-fluoro-N-methylpyridine-3-carbonitrilium
CID 171631034
ethane;2-ethyl-4-[4-(3-methoxy-2-pyridinyl)piperazine-1-carbonyl]phthalazin-1-one
CID 171631020
4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-2-pentylphthalazin-1-one
CID 17420770
4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]-2-propylphthalazin-1-one
CID 35366950

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-2-ethylphthalazin-1-one?
The IUPAC name of 4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-2-ethylphthalazin-1-one (CID 49071749) is 4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-2-ethylphthalazin-1-one.
What is the SMILES notation for 4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-2-ethylphthalazin-1-one?
The canonical SMILES for 4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-2-ethylphthalazin-1-one is CCn1nc(C(=O)N2CCN(CC(F)F)CC2)c2ccccc2c1=O.
What is the InChIKey of 4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-2-ethylphthalazin-1-one?
The InChIKey is JCZBBLOLFSZOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4O2/c1-2-23-16(24)13-6-4-3-5-12(13)15(20-23)17(25)22-9-7-21(8-10-22)11-14(18)19/h3-6,14H,2,7-11H2,1H3.
What are the key properties of 4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-2-ethylphthalazin-1-one?
4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-2-ethylphthalazin-1-one has a molecular weight of 350.37 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-2-ethylphthalazin-1-one is sourced from PubChem (CID 49071749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).