2-[1-(2,2-difluoroethylcarbamoyl)piperidin-3-yl]-2-methylpropanoic acid

C12H20F2N2O3 — CID 83197298

IUPAC2-[1-(2,2-difluoroethylcarbamoyl)piperidin-3-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)C1CCCN(C(=O)NCC(F)F)C1
InChIInChI=1S/C12H20F2N2O3/c1-12(2,10(17)18)8-4-3-5-16(7-8)11(19)15-6-9(13)14/h8-9H,3-7H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyCYSVQJMJVZIDNF-UHFFFAOYSA-N
MW278.30 g/mol
LogP1.78
Rot. Bonds4

About 2-[1-(2,2-difluoroethylcarbamoyl)piperidin-3-yl]-2-methylpropanoic acid

2-[1-(2,2-difluoroethylcarbamoyl)piperidin-3-yl]-2-methylpropanoic acid (PubChem CID 83197298) has the molecular formula C12H20F2N2O3 and a molecular weight of 278.30 g/mol. Its IUPAC name is 2-[1-(2,2-difluoroethylcarbamoyl)piperidin-3-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[1-(2,2-difluoroethylcarbamoyl)piperidin-3-yl]-2-methylpropanoic acid
PubChem CID83197298
Molecular FormulaC12H20F2N2O3
Molecular Weight278.30 g/mol
Exact Mass278.14
IUPAC Name2-[1-(2,2-difluoroethylcarbamoyl)piperidin-3-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)C1CCCN(C(=O)NCC(F)F)C1
InChIInChI=1S/C12H20F2N2O3/c1-12(2,10(17)18)8-4-3-5-16(7-8)11(19)15-6-9(13)14/h8-9H,3-7H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyCYSVQJMJVZIDNF-UHFFFAOYSA-N
XLogP1.78
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-[1-[[3-(methylamino)-3-oxopropyl]carbamoyl]piperidin-3-yl]propanoic acid
CID 83199719
2-[1-(but-3-ynylcarbamoyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198220
2-methyl-2-[1-(3-methylsulfanylpropylcarbamoyl)piperidin-3-yl]propanoic acid
CID 83198070
2-[1-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid
CID 83199818
2-methyl-2-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid
CID 83197573
2-methyl-2-[1-(3,3,3-trifluoropropanoyl)piperidin-3-yl]propanoic acid
CID 83197951
2-[1-(hex-1-yn-3-ylcarbamoyl)piperidin-3-yl]-2-methylpropanoic acid
CID 106232610
2-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198260
2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-3-yl]-2-methylpropanoic acid
CID 83197207
2-[1-(azetidine-3-carbonyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83197354
2-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid
CID 83198068
2-methyl-2-[1-(2H-triazole-4-carbonyl)piperidin-3-yl]propanoic acid
CID 83198185

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-difluoroethylcarbamoyl)piperidin-3-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[1-(2,2-difluoroethylcarbamoyl)piperidin-3-yl]-2-methylpropanoic acid (CID 83197298) is 2-[1-(2,2-difluoroethylcarbamoyl)piperidin-3-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[1-(2,2-difluoroethylcarbamoyl)piperidin-3-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[1-(2,2-difluoroethylcarbamoyl)piperidin-3-yl]-2-methylpropanoic acid is CC(C)(C(=O)O)C1CCCN(C(=O)NCC(F)F)C1.
What is the InChIKey of 2-[1-(2,2-difluoroethylcarbamoyl)piperidin-3-yl]-2-methylpropanoic acid?
The InChIKey is CYSVQJMJVZIDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N2O3/c1-12(2,10(17)18)8-4-3-5-16(7-8)11(19)15-6-9(13)14/h8-9H,3-7H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 2-[1-(2,2-difluoroethylcarbamoyl)piperidin-3-yl]-2-methylpropanoic acid?
2-[1-(2,2-difluoroethylcarbamoyl)piperidin-3-yl]-2-methylpropanoic acid has a molecular weight of 278.30 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-difluoroethylcarbamoyl)piperidin-3-yl]-2-methylpropanoic acid is sourced from PubChem (CID 83197298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).