N-(1-acetyl-3,3-difluoropiperidin-4-yl)-2-methylpropanamide

C11H18F2N2O2 — CID 155036845

IUPACN-(1-acetyl-3,3-difluoropiperidin-4-yl)-2-methylpropanamide
SMILESCC(=O)N1CCC(NC(=O)C(C)C)C(F)(F)C1
InChIInChI=1S/C11H18F2N2O2/c1-7(2)10(17)14-9-4-5-15(8(3)16)6-11(9,12)13/h7,9H,4-6H2,1-3H3,(H,14,17)
InChIKeyXKRQTZOHHOMUCF-UHFFFAOYSA-N
MW248.27 g/mol
LogP1.01
Rot. Bonds2

About N-(1-acetyl-3,3-difluoropiperidin-4-yl)-2-methylpropanamide

N-(1-acetyl-3,3-difluoropiperidin-4-yl)-2-methylpropanamide (PubChem CID 155036845) has the molecular formula C11H18F2N2O2 and a molecular weight of 248.27 g/mol. Its IUPAC name is N-(1-acetyl-3,3-difluoropiperidin-4-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(1-acetyl-3,3-difluoropiperidin-4-yl)-2-methylpropanamide
PubChem CID155036845
Molecular FormulaC11H18F2N2O2
Molecular Weight248.27 g/mol
Exact Mass248.13
IUPAC NameN-(1-acetyl-3,3-difluoropiperidin-4-yl)-2-methylpropanamide
SMILESCC(=O)N1CCC(NC(=O)C(C)C)C(F)(F)C1
InChIInChI=1S/C11H18F2N2O2/c1-7(2)10(17)14-9-4-5-15(8(3)16)6-11(9,12)13/h7,9H,4-6H2,1-3H3,(H,14,17)
InChIKeyXKRQTZOHHOMUCF-UHFFFAOYSA-N
XLogP1.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-3,3-difluoropiperidin-4-yl)-2-methylpropanamide?
The IUPAC name of N-(1-acetyl-3,3-difluoropiperidin-4-yl)-2-methylpropanamide (CID 155036845) is N-(1-acetyl-3,3-difluoropiperidin-4-yl)-2-methylpropanamide.
What is the SMILES notation for N-(1-acetyl-3,3-difluoropiperidin-4-yl)-2-methylpropanamide?
The canonical SMILES for N-(1-acetyl-3,3-difluoropiperidin-4-yl)-2-methylpropanamide is CC(=O)N1CCC(NC(=O)C(C)C)C(F)(F)C1.
What is the InChIKey of N-(1-acetyl-3,3-difluoropiperidin-4-yl)-2-methylpropanamide?
The InChIKey is XKRQTZOHHOMUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2O2/c1-7(2)10(17)14-9-4-5-15(8(3)16)6-11(9,12)13/h7,9H,4-6H2,1-3H3,(H,14,17).
What are the key properties of N-(1-acetyl-3,3-difluoropiperidin-4-yl)-2-methylpropanamide?
N-(1-acetyl-3,3-difluoropiperidin-4-yl)-2-methylpropanamide has a molecular weight of 248.27 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-3,3-difluoropiperidin-4-yl)-2-methylpropanamide is sourced from PubChem (CID 155036845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).