N-[(4S)-3,3-difluoro-1-(2-methoxyethyl)piperidin-4-yl]-2,2-dimethylpropanamide

C13H24F2N2O2 — CID 175623541

IUPACN-[(4S)-3,3-difluoro-1-(2-methoxyethyl)piperidin-4-yl]-2,2-dimethylpropanamide
SMILESCOCCN1CC[C@H](NC(=O)C(C)(C)C)C(F)(F)C1
InChIInChI=1S/C13H24F2N2O2/c1-12(2,3)11(18)16-10-5-6-17(7-8-19-4)9-13(10,14)15/h10H,5-9H2,1-4H3,(H,16,18)/t10-/m0/s1
InChIKeyHLQHONGAYGKHCL-JTQLQIEISA-N
MW278.34 g/mol
LogP1.50
Rot. Bonds4

About N-[(4S)-3,3-difluoro-1-(2-methoxyethyl)piperidin-4-yl]-2,2-dimethylpropanamide

N-[(4S)-3,3-difluoro-1-(2-methoxyethyl)piperidin-4-yl]-2,2-dimethylpropanamide (PubChem CID 175623541) has the molecular formula C13H24F2N2O2 and a molecular weight of 278.34 g/mol. Its IUPAC name is N-[(4S)-3,3-difluoro-1-(2-methoxyethyl)piperidin-4-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(4S)-3,3-difluoro-1-(2-methoxyethyl)piperidin-4-yl]-2,2-dimethylpropanamide
PubChem CID175623541
Molecular FormulaC13H24F2N2O2
Molecular Weight278.34 g/mol
Exact Mass278.18
IUPAC NameN-[(4S)-3,3-difluoro-1-(2-methoxyethyl)piperidin-4-yl]-2,2-dimethylpropanamide
SMILESCOCCN1CC[C@H](NC(=O)C(C)(C)C)C(F)(F)C1
InChIInChI=1S/C13H24F2N2O2/c1-12(2,3)11(18)16-10-5-6-17(7-8-19-4)9-13(10,14)15/h10H,5-9H2,1-4H3,(H,16,18)/t10-/m0/s1
InChIKeyHLQHONGAYGKHCL-JTQLQIEISA-N
XLogP1.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4S)-3,3-difluoro-1-(2-methoxyethyl)piperidin-4-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(4S)-3,3-difluoro-1-(2-methoxyethyl)piperidin-4-yl]-2,2-dimethylpropanamide (CID 175623541) is N-[(4S)-3,3-difluoro-1-(2-methoxyethyl)piperidin-4-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(4S)-3,3-difluoro-1-(2-methoxyethyl)piperidin-4-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(4S)-3,3-difluoro-1-(2-methoxyethyl)piperidin-4-yl]-2,2-dimethylpropanamide is COCCN1CC[C@H](NC(=O)C(C)(C)C)C(F)(F)C1.
What is the InChIKey of N-[(4S)-3,3-difluoro-1-(2-methoxyethyl)piperidin-4-yl]-2,2-dimethylpropanamide?
The InChIKey is HLQHONGAYGKHCL-JTQLQIEISA-N. The full InChI is InChI=1S/C13H24F2N2O2/c1-12(2,3)11(18)16-10-5-6-17(7-8-19-4)9-13(10,14)15/h10H,5-9H2,1-4H3,(H,16,18)/t10-/m0/s1.
What are the key properties of N-[(4S)-3,3-difluoro-1-(2-methoxyethyl)piperidin-4-yl]-2,2-dimethylpropanamide?
N-[(4S)-3,3-difluoro-1-(2-methoxyethyl)piperidin-4-yl]-2,2-dimethylpropanamide has a molecular weight of 278.34 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-3,3-difluoro-1-(2-methoxyethyl)piperidin-4-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 175623541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).