3-fluoro-N-[(2R,3R,6S)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)oxan-3-yl]benzamide

C20H27FN2O4 — CID 54643591

IUPAC3-fluoro-N-[(2R,3R,6S)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)oxan-3-yl]benzamide
SMILESO=C(N[C@@H]1CC[C@@H](CC(=O)N2CCCCC2)O[C@H]1CO)c1cccc(F)c1
InChIInChI=1S/C20H27FN2O4/c21-15-6-4-5-14(11-15)20(26)22-17-8-7-16(27-18(17)13-24)12-19(25)23-9-2-1-3-10-23/h4-6,11,16-18,24H,1-3,7-10,12-13H2,(H,22,26)/t16-,17+,18-/m0/s1
InChIKeyYVKGBFQUZYRNFM-KSZLIROESA-N
MW378.44 g/mol
LogP1.87
Rot. Bonds5

About 3-fluoro-N-[(2R,3R,6S)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)oxan-3-yl]benzamide

3-fluoro-N-[(2R,3R,6S)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)oxan-3-yl]benzamide (PubChem CID 54643591) has the molecular formula C20H27FN2O4 and a molecular weight of 378.44 g/mol. Its IUPAC name is 3-fluoro-N-[(2R,3R,6S)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)oxan-3-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[(2R,3R,6S)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)oxan-3-yl]benzamide
PubChem CID54643591
Molecular FormulaC20H27FN2O4
Molecular Weight378.44 g/mol
Exact Mass378.20
IUPAC Name3-fluoro-N-[(2R,3R,6S)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)oxan-3-yl]benzamide
SMILESO=C(N[C@@H]1CC[C@@H](CC(=O)N2CCCCC2)O[C@H]1CO)c1cccc(F)c1
InChIInChI=1S/C20H27FN2O4/c21-15-6-4-5-14(11-15)20(26)22-17-8-7-16(27-18(17)13-24)12-19(25)23-9-2-1-3-10-23/h4-6,11,16-18,24H,1-3,7-10,12-13H2,(H,22,26)/t16-,17+,18-/m0/s1
InChIKeyYVKGBFQUZYRNFM-KSZLIROESA-N
XLogP1.87
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-N-[(2R,3R,6S)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)oxan-3-yl]benzamide with MolForge

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Related Compounds

3-fluoro-N-[(2S,3R,6R)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)oxan-3-yl]benzamide
CID 54643587
3-fluoro-N-[(2S,3S,6R)-2-(hydroxymethyl)-6-(2-morpholin-4-yl-2-oxoethyl)oxan-3-yl]benzamide
CID 54640540
N-[(2R,3R,6R)-6-[2-(benzylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]-3-fluorobenzamide
CID 54642012
3-fluoro-N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]oxan-3-yl]benzamide
CID 54640485
N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]oxan-3-yl]-1,3-benzodioxole-5-carboxamide
CID 54639022
1-[(2R,3R,6S)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)oxan-3-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 54641526
N-[(2S,3R,6R)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)oxan-3-yl]-2-methoxyacetamide
CID 54639482
3-fluoro-N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]oxan-3-yl]benzenesulfonamide
CID 54643061
3-fluoro-N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]oxan-3-yl]benzenesulfonamide
CID 53382653
3-fluoro-N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-(4-propan-2-yltriazol-1-yl)ethyl]oxan-3-yl]benzamide
CID 54640788
N-[(2S,3R,6R)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]-4-fluorobenzamide
CID 54639421
N-[(2S,3R,6S)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]-4-fluorobenzamide
CID 54639419

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(2R,3R,6S)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)oxan-3-yl]benzamide?
The IUPAC name of 3-fluoro-N-[(2R,3R,6S)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)oxan-3-yl]benzamide (CID 54643591) is 3-fluoro-N-[(2R,3R,6S)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)oxan-3-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[(2R,3R,6S)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)oxan-3-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[(2R,3R,6S)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)oxan-3-yl]benzamide is O=C(N[C@@H]1CC[C@@H](CC(=O)N2CCCCC2)O[C@H]1CO)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[(2R,3R,6S)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)oxan-3-yl]benzamide?
The InChIKey is YVKGBFQUZYRNFM-KSZLIROESA-N. The full InChI is InChI=1S/C20H27FN2O4/c21-15-6-4-5-14(11-15)20(26)22-17-8-7-16(27-18(17)13-24)12-19(25)23-9-2-1-3-10-23/h4-6,11,16-18,24H,1-3,7-10,12-13H2,(H,22,26)/t16-,17+,18-/m0/s1.
What are the key properties of 3-fluoro-N-[(2R,3R,6S)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)oxan-3-yl]benzamide?
3-fluoro-N-[(2R,3R,6S)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)oxan-3-yl]benzamide has a molecular weight of 378.44 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(2R,3R,6S)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)oxan-3-yl]benzamide is sourced from PubChem (CID 54643591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).