6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2H-phthalazin-1-one

C24H19F2N3O2 — CID 154667306

IUPAC6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2H-phthalazin-1-one
SMILESO=C(c1ccc2c(-c3ccc4c(=O)[nH]ncc4c3)cccc2c1)N1CCC(F)(F)CC1
InChIInChI=1S/C24H19F2N3O2/c25-24(26)8-10-29(11-9-24)23(31)17-5-6-20-15(12-17)2-1-3-19(20)16-4-7-21-18(13-16)14-27-28-22(21)30/h1-7,12-14H,8-11H2,(H,28,30)
InChIKeyCJSHBZYAJXFXQA-UHFFFAOYSA-N
MW419.43 g/mol
LogP4.61
Rot. Bonds2

About 6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2H-phthalazin-1-one

6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2H-phthalazin-1-one (PubChem CID 154667306) has the molecular formula C24H19F2N3O2 and a molecular weight of 419.43 g/mol. Its IUPAC name is 6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2H-phthalazin-1-one.

Molecular Properties

Compound Name6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2H-phthalazin-1-one
PubChem CID154667306
Molecular FormulaC24H19F2N3O2
Molecular Weight419.43 g/mol
Exact Mass419.14
IUPAC Name6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2H-phthalazin-1-one
SMILESO=C(c1ccc2c(-c3ccc4c(=O)[nH]ncc4c3)cccc2c1)N1CCC(F)(F)CC1
InChIInChI=1S/C24H19F2N3O2/c25-24(26)8-10-29(11-9-24)23(31)17-5-6-20-15(12-17)2-1-3-19(20)16-4-7-21-18(13-16)14-27-28-22(21)30/h1-7,12-14H,8-11H2,(H,28,30)
InChIKeyCJSHBZYAJXFXQA-UHFFFAOYSA-N
XLogP4.61
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.43
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-ethyl-3H-isoindol-1-one
CID 154667161
7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-methylpyrido[3,2-d]pyrimidin-4-one
CID 154667377
4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-fluoro-6-methoxybenzoic acid
CID 154667112
4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-fluoro-6-methoxybenzamide
CID 154667267
6-[6-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]naphthalen-1-yl]-2H-phthalazin-1-one;6-[6-(2-azabicyclo[4.1.0]heptane-2-carbonyl)naphthalen-1-yl]-2H-phthalazin-1-one;6-[6-(2-azaspiro[3.3]heptane-2-carbonyl)naphthalen-1-yl]-2H-phthalazin-1-one;4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2,6-difluorobenzoic acid;6-[6-(3,6-dihydro-2H-pyridine-1-carbonyl)naphthalen-1-yl]-2H-phthalazin-1-one;6-methyl-3-[6-(4-methylpiperidine-1-carbonyl)naphthalen-1-yl]-5H-pyrrolo[3,4-b]pyridin-7-one
CID 163757368
CID 163676622
CID 163676622
6-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-2-methyl-1,2-benzoxazol-3-one
CID 154667127
6-[7-(4,4-difluoropiperidine-1-carbonyl)naphthalen-2-yl]-3,4-dihydro-2H-phthalazin-1-one
CID 176752233
6-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-3H-isoindol-1-yl]-2H-isoquinolin-1-one;6-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-3H-isoindol-1-yl]-2H-phthalazin-1-one;6-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1-methylindol-3-yl]-2H-isoquinolin-1-one;6-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1-methylindol-3-yl]-2H-phthalazin-1-one
CID 164947853
6-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1H-indazol-3-yl]-2H-isoquinolin-1-one
CID 167561873
(3,3-difluoropyrrolidin-1-yl)-(5-ethenylnaphthalen-2-yl)methanone
CID 171396749
6-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)-2H-phthalazin-1-one
CID 167950585

Frequently Asked Questions

What is the IUPAC name of 6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2H-phthalazin-1-one?
The IUPAC name of 6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2H-phthalazin-1-one (CID 154667306) is 6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2H-phthalazin-1-one.
What is the SMILES notation for 6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2H-phthalazin-1-one?
The canonical SMILES for 6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2H-phthalazin-1-one is O=C(c1ccc2c(-c3ccc4c(=O)[nH]ncc4c3)cccc2c1)N1CCC(F)(F)CC1.
What is the InChIKey of 6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2H-phthalazin-1-one?
The InChIKey is CJSHBZYAJXFXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N3O2/c25-24(26)8-10-29(11-9-24)23(31)17-5-6-20-15(12-17)2-1-3-19(20)16-4-7-21-18(13-16)14-27-28-22(21)30/h1-7,12-14H,8-11H2,(H,28,30).
What are the key properties of 6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2H-phthalazin-1-one?
6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2H-phthalazin-1-one has a molecular weight of 419.43 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2H-phthalazin-1-one is sourced from PubChem (CID 154667306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).