N-[(4S)-1-ethyl-3,3-difluoropiperidin-4-yl]-3-hydroxy-2,2-dimethylpropanamide

C12H22F2N2O2 — CID 164641902

IUPACN-[(4S)-1-ethyl-3,3-difluoropiperidin-4-yl]-3-hydroxy-2,2-dimethylpropanamide
SMILESCCN1CC[C@H](NC(=O)C(C)(C)CO)C(F)(F)C1
InChIInChI=1S/C12H22F2N2O2/c1-4-16-6-5-9(12(13,14)7-16)15-10(18)11(2,3)8-17/h9,17H,4-8H2,1-3H3,(H,15,18)/t9-/m0/s1
InChIKeyICPJVGYVGPKRPY-VIFPVBQESA-N
MW264.32 g/mol
LogP0.85
Rot. Bonds4

About N-[(4S)-1-ethyl-3,3-difluoropiperidin-4-yl]-3-hydroxy-2,2-dimethylpropanamide

N-[(4S)-1-ethyl-3,3-difluoropiperidin-4-yl]-3-hydroxy-2,2-dimethylpropanamide (PubChem CID 164641902) has the molecular formula C12H22F2N2O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-[(4S)-1-ethyl-3,3-difluoropiperidin-4-yl]-3-hydroxy-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(4S)-1-ethyl-3,3-difluoropiperidin-4-yl]-3-hydroxy-2,2-dimethylpropanamide
PubChem CID164641902
Molecular FormulaC12H22F2N2O2
Molecular Weight264.32 g/mol
Exact Mass264.16
IUPAC NameN-[(4S)-1-ethyl-3,3-difluoropiperidin-4-yl]-3-hydroxy-2,2-dimethylpropanamide
SMILESCCN1CC[C@H](NC(=O)C(C)(C)CO)C(F)(F)C1
InChIInChI=1S/C12H22F2N2O2/c1-4-16-6-5-9(12(13,14)7-16)15-10(18)11(2,3)8-17/h9,17H,4-8H2,1-3H3,(H,15,18)/t9-/m0/s1
InChIKeyICPJVGYVGPKRPY-VIFPVBQESA-N
XLogP0.85
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4S)-1-ethyl-3,3-difluoropiperidin-4-yl]-3-hydroxy-2,2-dimethylpropanamide?
The IUPAC name of N-[(4S)-1-ethyl-3,3-difluoropiperidin-4-yl]-3-hydroxy-2,2-dimethylpropanamide (CID 164641902) is N-[(4S)-1-ethyl-3,3-difluoropiperidin-4-yl]-3-hydroxy-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(4S)-1-ethyl-3,3-difluoropiperidin-4-yl]-3-hydroxy-2,2-dimethylpropanamide?
The canonical SMILES for N-[(4S)-1-ethyl-3,3-difluoropiperidin-4-yl]-3-hydroxy-2,2-dimethylpropanamide is CCN1CC[C@H](NC(=O)C(C)(C)CO)C(F)(F)C1.
What is the InChIKey of N-[(4S)-1-ethyl-3,3-difluoropiperidin-4-yl]-3-hydroxy-2,2-dimethylpropanamide?
The InChIKey is ICPJVGYVGPKRPY-VIFPVBQESA-N. The full InChI is InChI=1S/C12H22F2N2O2/c1-4-16-6-5-9(12(13,14)7-16)15-10(18)11(2,3)8-17/h9,17H,4-8H2,1-3H3,(H,15,18)/t9-/m0/s1.
What are the key properties of N-[(4S)-1-ethyl-3,3-difluoropiperidin-4-yl]-3-hydroxy-2,2-dimethylpropanamide?
N-[(4S)-1-ethyl-3,3-difluoropiperidin-4-yl]-3-hydroxy-2,2-dimethylpropanamide has a molecular weight of 264.32 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-1-ethyl-3,3-difluoropiperidin-4-yl]-3-hydroxy-2,2-dimethylpropanamide is sourced from PubChem (CID 164641902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).