N-[(3S,4S,5R,6S)-1-benzyl-5-ethoxy-4-fluoro-6-(fluoromethyl)piperidin-3-yl]acetamide

C17H24F2N2O2 — CID 90005415

IUPACN-[(3S,4S,5R,6S)-1-benzyl-5-ethoxy-4-fluoro-6-(fluoromethyl)piperidin-3-yl]acetamide
SMILESCCO[C@H]1[C@@H](F)[C@@H](NC(C)=O)CN(Cc2ccccc2)[C@@H]1CF
InChIInChI=1S/C17H24F2N2O2/c1-3-23-17-15(9-18)21(10-13-7-5-4-6-8-13)11-14(16(17)19)20-12(2)22/h4-8,14-17H,3,9-11H2,1-2H3,(H,20,22)/t14-,15+,16-,17+/m0/s1
InChIKeyDVCVGSJFFCHXSB-VVLHAWIVSA-N
MW326.39 g/mol
LogP2.09
Rot. Bonds6

About N-[(3S,4S,5R,6S)-1-benzyl-5-ethoxy-4-fluoro-6-(fluoromethyl)piperidin-3-yl]acetamide

N-[(3S,4S,5R,6S)-1-benzyl-5-ethoxy-4-fluoro-6-(fluoromethyl)piperidin-3-yl]acetamide (PubChem CID 90005415) has the molecular formula C17H24F2N2O2 and a molecular weight of 326.39 g/mol. Its IUPAC name is N-[(3S,4S,5R,6S)-1-benzyl-5-ethoxy-4-fluoro-6-(fluoromethyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4S,5R,6S)-1-benzyl-5-ethoxy-4-fluoro-6-(fluoromethyl)piperidin-3-yl]acetamide
PubChem CID90005415
Molecular FormulaC17H24F2N2O2
Molecular Weight326.39 g/mol
Exact Mass326.18
IUPAC NameN-[(3S,4S,5R,6S)-1-benzyl-5-ethoxy-4-fluoro-6-(fluoromethyl)piperidin-3-yl]acetamide
SMILESCCO[C@H]1[C@@H](F)[C@@H](NC(C)=O)CN(Cc2ccccc2)[C@@H]1CF
InChIInChI=1S/C17H24F2N2O2/c1-3-23-17-15(9-18)21(10-13-7-5-4-6-8-13)11-14(16(17)19)20-12(2)22/h4-8,14-17H,3,9-11H2,1-2H3,(H,20,22)/t14-,15+,16-,17+/m0/s1
InChIKeyDVCVGSJFFCHXSB-VVLHAWIVSA-N
XLogP2.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3S,4S,5R,6S)-1-benzyl-5-ethoxy-4-fluoro-6-(fluoromethyl)piperidin-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S,5R,6S)-1-benzyl-5-ethoxy-4-fluoro-6-(fluoromethyl)piperidin-3-yl]acetamide?
The IUPAC name of N-[(3S,4S,5R,6S)-1-benzyl-5-ethoxy-4-fluoro-6-(fluoromethyl)piperidin-3-yl]acetamide (CID 90005415) is N-[(3S,4S,5R,6S)-1-benzyl-5-ethoxy-4-fluoro-6-(fluoromethyl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S,4S,5R,6S)-1-benzyl-5-ethoxy-4-fluoro-6-(fluoromethyl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[(3S,4S,5R,6S)-1-benzyl-5-ethoxy-4-fluoro-6-(fluoromethyl)piperidin-3-yl]acetamide is CCO[C@H]1[C@@H](F)[C@@H](NC(C)=O)CN(Cc2ccccc2)[C@@H]1CF.
What is the InChIKey of N-[(3S,4S,5R,6S)-1-benzyl-5-ethoxy-4-fluoro-6-(fluoromethyl)piperidin-3-yl]acetamide?
The InChIKey is DVCVGSJFFCHXSB-VVLHAWIVSA-N. The full InChI is InChI=1S/C17H24F2N2O2/c1-3-23-17-15(9-18)21(10-13-7-5-4-6-8-13)11-14(16(17)19)20-12(2)22/h4-8,14-17H,3,9-11H2,1-2H3,(H,20,22)/t14-,15+,16-,17+/m0/s1.
What are the key properties of N-[(3S,4S,5R,6S)-1-benzyl-5-ethoxy-4-fluoro-6-(fluoromethyl)piperidin-3-yl]acetamide?
N-[(3S,4S,5R,6S)-1-benzyl-5-ethoxy-4-fluoro-6-(fluoromethyl)piperidin-3-yl]acetamide has a molecular weight of 326.39 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S,5R,6S)-1-benzyl-5-ethoxy-4-fluoro-6-(fluoromethyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 90005415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).