N-[(2S,3S)-2-(4-fluorophenyl)-6-oxopiperidin-3-yl]-2-methoxyacetamide

C14H17FN2O3 — CID 95856845

IUPACN-[(2S,3S)-2-(4-fluorophenyl)-6-oxopiperidin-3-yl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@H]1CCC(=O)N[C@H]1c1ccc(F)cc1
InChIInChI=1S/C14H17FN2O3/c1-20-8-13(19)16-11-6-7-12(18)17-14(11)9-2-4-10(15)5-3-9/h2-5,11,14H,6-8H2,1H3,(H,16,19)(H,17,18)/t11-,14-/m0/s1
InChIKeyPEWANMUMGQOOIJ-FZMZJTMJSA-N
MW280.30 g/mol
LogP0.91
Rot. Bonds4

About N-[(2S,3S)-2-(4-fluorophenyl)-6-oxopiperidin-3-yl]-2-methoxyacetamide

N-[(2S,3S)-2-(4-fluorophenyl)-6-oxopiperidin-3-yl]-2-methoxyacetamide (PubChem CID 95856845) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is N-[(2S,3S)-2-(4-fluorophenyl)-6-oxopiperidin-3-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(2S,3S)-2-(4-fluorophenyl)-6-oxopiperidin-3-yl]-2-methoxyacetamide
PubChem CID95856845
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC NameN-[(2S,3S)-2-(4-fluorophenyl)-6-oxopiperidin-3-yl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@H]1CCC(=O)N[C@H]1c1ccc(F)cc1
InChIInChI=1S/C14H17FN2O3/c1-20-8-13(19)16-11-6-7-12(18)17-14(11)9-2-4-10(15)5-3-9/h2-5,11,14H,6-8H2,1H3,(H,16,19)(H,17,18)/t11-,14-/m0/s1
InChIKeyPEWANMUMGQOOIJ-FZMZJTMJSA-N
XLogP0.91
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-2-(4-fluorophenyl)-6-oxopiperidin-3-yl]-2-methoxyacetamide?
The IUPAC name of N-[(2S,3S)-2-(4-fluorophenyl)-6-oxopiperidin-3-yl]-2-methoxyacetamide (CID 95856845) is N-[(2S,3S)-2-(4-fluorophenyl)-6-oxopiperidin-3-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[(2S,3S)-2-(4-fluorophenyl)-6-oxopiperidin-3-yl]-2-methoxyacetamide?
The canonical SMILES for N-[(2S,3S)-2-(4-fluorophenyl)-6-oxopiperidin-3-yl]-2-methoxyacetamide is COCC(=O)N[C@H]1CCC(=O)N[C@H]1c1ccc(F)cc1.
What is the InChIKey of N-[(2S,3S)-2-(4-fluorophenyl)-6-oxopiperidin-3-yl]-2-methoxyacetamide?
The InChIKey is PEWANMUMGQOOIJ-FZMZJTMJSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-20-8-13(19)16-11-6-7-12(18)17-14(11)9-2-4-10(15)5-3-9/h2-5,11,14H,6-8H2,1H3,(H,16,19)(H,17,18)/t11-,14-/m0/s1.
What are the key properties of N-[(2S,3S)-2-(4-fluorophenyl)-6-oxopiperidin-3-yl]-2-methoxyacetamide?
N-[(2S,3S)-2-(4-fluorophenyl)-6-oxopiperidin-3-yl]-2-methoxyacetamide has a molecular weight of 280.30 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-2-(4-fluorophenyl)-6-oxopiperidin-3-yl]-2-methoxyacetamide is sourced from PubChem (CID 95856845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).