3,3-difluoropiperidine;2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide

C19H23F5N4O2 — CID 162364294

IUPAC3,3-difluoropiperidine;2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide
SMILESCC(C)c1nn(CC(N)=O)c(=O)c2ccc(C(F)(F)F)cc12.FC1(F)CCCNC1
InChIInChI=1S/C14H14F3N3O2.C5H9F2N/c1-7(2)12-10-5-8(14(15,16)17)3-4-9(10)13(22)20(19-12)6-11(18)21;6-5(7)2-1-3-8-4-5/h3-5,7H,6H2,1-2H3,(H2,18,21);8H,1-4H2
InChIKeyGULRDRNSJURXED-UHFFFAOYSA-N
MW434.41 g/mol
LogP3.03
Rot. Bonds3

About 3,3-difluoropiperidine;2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide

3,3-difluoropiperidine;2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide (PubChem CID 162364294) has the molecular formula C19H23F5N4O2 and a molecular weight of 434.41 g/mol. Its IUPAC name is 3,3-difluoropiperidine;2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide.

Molecular Properties

Compound Name3,3-difluoropiperidine;2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide
PubChem CID162364294
Molecular FormulaC19H23F5N4O2
Molecular Weight434.41 g/mol
Exact Mass434.17
IUPAC Name3,3-difluoropiperidine;2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide
SMILESCC(C)c1nn(CC(N)=O)c(=O)c2ccc(C(F)(F)F)cc12.FC1(F)CCCNC1
InChIInChI=1S/C14H14F3N3O2.C5H9F2N/c1-7(2)12-10-5-8(14(15,16)17)3-4-9(10)13(22)20(19-12)6-11(18)21;6-5(7)2-1-3-8-4-5/h3-5,7H,6H2,1-2H3,(H2,18,21);8H,1-4H2
InChIKeyGULRDRNSJURXED-UHFFFAOYSA-N
XLogP3.03
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.41
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-(2-fluoropropan-2-yl)-1-oxo-4-propan-2-ylphthalazin-2-yl]acetic acid
CID 162364096
2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]-N-[6-(trifluoromethyl)pyridazin-3-yl]acetamide
CID 162364299
N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide
CID 162364313
2-(6-cyclopropyl-1-oxo-4-propan-2-ylphthalazin-2-yl)acetamide
CID 162364321
N-(4-hydroxycyclohexyl)-2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide
CID 162363900
N-[6-(difluoromethyl)pyridazin-3-yl]-2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide
CID 162364192
N-[3-(2-hydroxypropan-2-yl)cyclobutyl]-2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide
CID 162363709
ethyl 2-[4-butan-2-yl-1-oxo-6-(trifluoromethyl)phthalazin-2-yl]acetate
CID 162363988
N-(1-ethylpiperidin-3-yl)-2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide
CID 162363968
N-(7-methylpurin-2-yl)-2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide
CID 162363740
N-[(3S)-1-ethyl-2-oxopiperidin-3-yl]-2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide
CID 166874718
N-(3-methylbenzimidazol-5-yl)-2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide
CID 162364067

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoropiperidine;2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide?
The IUPAC name of 3,3-difluoropiperidine;2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide (CID 162364294) is 3,3-difluoropiperidine;2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide.
What is the SMILES notation for 3,3-difluoropiperidine;2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide?
The canonical SMILES for 3,3-difluoropiperidine;2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide is CC(C)c1nn(CC(N)=O)c(=O)c2ccc(C(F)(F)F)cc12.FC1(F)CCCNC1.
What is the InChIKey of 3,3-difluoropiperidine;2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide?
The InChIKey is GULRDRNSJURXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O2.C5H9F2N/c1-7(2)12-10-5-8(14(15,16)17)3-4-9(10)13(22)20(19-12)6-11(18)21;6-5(7)2-1-3-8-4-5/h3-5,7H,6H2,1-2H3,(H2,18,21);8H,1-4H2.
What are the key properties of 3,3-difluoropiperidine;2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide?
3,3-difluoropiperidine;2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide has a molecular weight of 434.41 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoropiperidine;2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide is sourced from PubChem (CID 162364294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).