N-[(3S,4R,5S)-5-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyoxolan-3-yl]acetamide

C12H20F2N2O3 — CID 125417158

IUPACN-[(3S,4R,5S)-5-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyoxolan-3-yl]acetamide
SMILESCC(=O)N[C@H]1CO[C@@H](CN2CCC(F)(F)CC2)[C@@H]1O
InChIInChI=1S/C12H20F2N2O3/c1-8(17)15-9-7-19-10(11(9)18)6-16-4-2-12(13,14)3-5-16/h9-11,18H,2-7H2,1H3,(H,15,17)/t9-,10-,11+/m0/s1
InChIKeyFOLFXIZUUGOMDU-GARJFASQSA-N
MW278.30 g/mol
LogP-0.02
Rot. Bonds3

About N-[(3S,4R,5S)-5-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyoxolan-3-yl]acetamide

N-[(3S,4R,5S)-5-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyoxolan-3-yl]acetamide (PubChem CID 125417158) has the molecular formula C12H20F2N2O3 and a molecular weight of 278.30 g/mol. Its IUPAC name is N-[(3S,4R,5S)-5-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyoxolan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4R,5S)-5-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyoxolan-3-yl]acetamide
PubChem CID125417158
Molecular FormulaC12H20F2N2O3
Molecular Weight278.30 g/mol
Exact Mass278.14
IUPAC NameN-[(3S,4R,5S)-5-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyoxolan-3-yl]acetamide
SMILESCC(=O)N[C@H]1CO[C@@H](CN2CCC(F)(F)CC2)[C@@H]1O
InChIInChI=1S/C12H20F2N2O3/c1-8(17)15-9-7-19-10(11(9)18)6-16-4-2-12(13,14)3-5-16/h9-11,18H,2-7H2,1H3,(H,15,17)/t9-,10-,11+/m0/s1
InChIKeyFOLFXIZUUGOMDU-GARJFASQSA-N
XLogP-0.02
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R,5S)-5-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyoxolan-3-yl]acetamide?
The IUPAC name of N-[(3S,4R,5S)-5-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyoxolan-3-yl]acetamide (CID 125417158) is N-[(3S,4R,5S)-5-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyoxolan-3-yl]acetamide.
What is the SMILES notation for N-[(3S,4R,5S)-5-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyoxolan-3-yl]acetamide?
The canonical SMILES for N-[(3S,4R,5S)-5-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyoxolan-3-yl]acetamide is CC(=O)N[C@H]1CO[C@@H](CN2CCC(F)(F)CC2)[C@@H]1O.
What is the InChIKey of N-[(3S,4R,5S)-5-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyoxolan-3-yl]acetamide?
The InChIKey is FOLFXIZUUGOMDU-GARJFASQSA-N. The full InChI is InChI=1S/C12H20F2N2O3/c1-8(17)15-9-7-19-10(11(9)18)6-16-4-2-12(13,14)3-5-16/h9-11,18H,2-7H2,1H3,(H,15,17)/t9-,10-,11+/m0/s1.
What are the key properties of N-[(3S,4R,5S)-5-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyoxolan-3-yl]acetamide?
N-[(3S,4R,5S)-5-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyoxolan-3-yl]acetamide has a molecular weight of 278.30 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R,5S)-5-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyoxolan-3-yl]acetamide is sourced from PubChem (CID 125417158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).