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

C16H28N2O5 — CID 54639482

IUPACN-[(2S,3R,6R)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)oxan-3-yl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@@H]1CC[C@H](CC(=O)N2CCCCC2)O[C@@H]1CO
InChIInChI=1S/C16H28N2O5/c1-22-11-15(20)17-13-6-5-12(23-14(13)10-19)9-16(21)18-7-3-2-4-8-18/h12-14,19H,2-11H2,1H3,(H,17,20)/t12-,13-,14-/m1/s1
InChIKeyDVRCOHXMQROJRA-MGPQQGTHSA-N
MW328.41 g/mol
LogP0.06
Rot. Bonds6

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

N-[(2S,3R,6R)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)oxan-3-yl]-2-methoxyacetamide (PubChem CID 54639482) has the molecular formula C16H28N2O5 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-[(2S,3R,6R)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)oxan-3-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(2S,3R,6R)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)oxan-3-yl]-2-methoxyacetamide
PubChem CID54639482
Molecular FormulaC16H28N2O5
Molecular Weight328.41 g/mol
Exact Mass328.20
IUPAC NameN-[(2S,3R,6R)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)oxan-3-yl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@@H]1CC[C@H](CC(=O)N2CCCCC2)O[C@@H]1CO
InChIInChI=1S/C16H28N2O5/c1-22-11-15(20)17-13-6-5-12(23-14(13)10-19)9-16(21)18-7-3-2-4-8-18/h12-14,19H,2-11H2,1H3,(H,17,20)/t12-,13-,14-/m1/s1
InChIKeyDVRCOHXMQROJRA-MGPQQGTHSA-N
XLogP0.06
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R,3R,6S)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyran-3-yl]-2-methoxyacetamide
CID 54639072
1-[(2R,3R,6S)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)oxan-3-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 54641526
methyl 2-[(2R,5S,6S)-6-(hydroxymethyl)-5-(propanoylamino)oxan-2-yl]acetate
CID 54639335
N-[(2R,3S,6R)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)oxan-3-yl]-2-methoxybenzenesulfonamide
CID 54643892
N-[(2R,3R,6S)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)oxan-3-yl]-2-methoxybenzenesulfonamide
CID 54643898
3-fluoro-N-[(2S,3R,6R)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)oxan-3-yl]benzamide
CID 54643587
3-fluoro-N-[(2R,3R,6S)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)oxan-3-yl]benzamide
CID 54643591
N-[(4-chlorophenyl)methyl]-2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[(2-methoxyacetyl)amino]oxan-2-yl]acetamide
CID 54641815
2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[(2-methoxyacetyl)amino]oxan-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 54640099
N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]oxan-3-yl]propanamide
CID 54639751
N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]oxan-3-yl]propanamide
CID 54639755
2-[(2S,5R,6S)-5-(cyclohexylcarbamoylamino)-6-(hydroxymethyl)oxan-2-yl]-N-(2-methoxyethyl)acetamide
CID 54638382

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R,6R)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)oxan-3-yl]-2-methoxyacetamide?
The IUPAC name of N-[(2S,3R,6R)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)oxan-3-yl]-2-methoxyacetamide (CID 54639482) is N-[(2S,3R,6R)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)oxan-3-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[(2S,3R,6R)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)oxan-3-yl]-2-methoxyacetamide?
The canonical SMILES for N-[(2S,3R,6R)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)oxan-3-yl]-2-methoxyacetamide is COCC(=O)N[C@@H]1CC[C@H](CC(=O)N2CCCCC2)O[C@@H]1CO.
What is the InChIKey of N-[(2S,3R,6R)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)oxan-3-yl]-2-methoxyacetamide?
The InChIKey is DVRCOHXMQROJRA-MGPQQGTHSA-N. The full InChI is InChI=1S/C16H28N2O5/c1-22-11-15(20)17-13-6-5-12(23-14(13)10-19)9-16(21)18-7-3-2-4-8-18/h12-14,19H,2-11H2,1H3,(H,17,20)/t12-,13-,14-/m1/s1.
What are the key properties of N-[(2S,3R,6R)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)oxan-3-yl]-2-methoxyacetamide?
N-[(2S,3R,6R)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)oxan-3-yl]-2-methoxyacetamide has a molecular weight of 328.41 g/mol, XLogP of 0.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R,6R)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)oxan-3-yl]-2-methoxyacetamide is sourced from PubChem (CID 54639482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).