2-(4,4-difluoro-3-methylpiperidin-1-yl)butanamide

C10H18F2N2O — CID 126788301

IUPAC2-(4,4-difluoro-3-methylpiperidin-1-yl)butanamide
SMILESCCC(C(N)=O)N1CCC(F)(F)C(C)C1
InChIInChI=1S/C10H18F2N2O/c1-3-8(9(13)15)14-5-4-10(11,12)7(2)6-14/h7-8H,3-6H2,1-2H3,(H2,13,15)
InChIKeyKGMOEFSGTJLYML-UHFFFAOYSA-N
MW220.26 g/mol
LogP1.23
Rot. Bonds3

About 2-(4,4-difluoro-3-methylpiperidin-1-yl)butanamide

2-(4,4-difluoro-3-methylpiperidin-1-yl)butanamide (PubChem CID 126788301) has the molecular formula C10H18F2N2O and a molecular weight of 220.26 g/mol. Its IUPAC name is 2-(4,4-difluoro-3-methylpiperidin-1-yl)butanamide.

Molecular Properties

Compound Name2-(4,4-difluoro-3-methylpiperidin-1-yl)butanamide
PubChem CID126788301
Molecular FormulaC10H18F2N2O
Molecular Weight220.26 g/mol
Exact Mass220.14
IUPAC Name2-(4,4-difluoro-3-methylpiperidin-1-yl)butanamide
SMILESCCC(C(N)=O)N1CCC(F)(F)C(C)C1
InChIInChI=1S/C10H18F2N2O/c1-3-8(9(13)15)14-5-4-10(11,12)7(2)6-14/h7-8H,3-6H2,1-2H3,(H2,13,15)
InChIKeyKGMOEFSGTJLYML-UHFFFAOYSA-N
XLogP1.23
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoro-3-methylpiperidin-1-yl)butanamide?
The IUPAC name of 2-(4,4-difluoro-3-methylpiperidin-1-yl)butanamide (CID 126788301) is 2-(4,4-difluoro-3-methylpiperidin-1-yl)butanamide.
What is the SMILES notation for 2-(4,4-difluoro-3-methylpiperidin-1-yl)butanamide?
The canonical SMILES for 2-(4,4-difluoro-3-methylpiperidin-1-yl)butanamide is CCC(C(N)=O)N1CCC(F)(F)C(C)C1.
What is the InChIKey of 2-(4,4-difluoro-3-methylpiperidin-1-yl)butanamide?
The InChIKey is KGMOEFSGTJLYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O/c1-3-8(9(13)15)14-5-4-10(11,12)7(2)6-14/h7-8H,3-6H2,1-2H3,(H2,13,15).
What are the key properties of 2-(4,4-difluoro-3-methylpiperidin-1-yl)butanamide?
2-(4,4-difluoro-3-methylpiperidin-1-yl)butanamide has a molecular weight of 220.26 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoro-3-methylpiperidin-1-yl)butanamide is sourced from PubChem (CID 126788301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).