N-[(3S,4S)-4-(hydroxymethyl)-1-(oxan-4-yl)piperidin-3-yl]-2-methoxyacetamide

C14H26N2O4 — CID 91920876

IUPACN-[(3S,4S)-4-(hydroxymethyl)-1-(oxan-4-yl)piperidin-3-yl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@@H]1CN(C2CCOCC2)CC[C@@H]1CO
InChIInChI=1S/C14H26N2O4/c1-19-10-14(18)15-13-8-16(5-2-11(13)9-17)12-3-6-20-7-4-12/h11-13,17H,2-10H2,1H3,(H,15,18)/t11-,13-/m1/s1
InChIKeyPWANAAIHTFQCCG-DGCLKSJQSA-N
MW286.37 g/mol
LogP-0.39
Rot. Bonds5

About N-[(3S,4S)-4-(hydroxymethyl)-1-(oxan-4-yl)piperidin-3-yl]-2-methoxyacetamide

N-[(3S,4S)-4-(hydroxymethyl)-1-(oxan-4-yl)piperidin-3-yl]-2-methoxyacetamide (PubChem CID 91920876) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is N-[(3S,4S)-4-(hydroxymethyl)-1-(oxan-4-yl)piperidin-3-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-(hydroxymethyl)-1-(oxan-4-yl)piperidin-3-yl]-2-methoxyacetamide
PubChem CID91920876
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC NameN-[(3S,4S)-4-(hydroxymethyl)-1-(oxan-4-yl)piperidin-3-yl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@@H]1CN(C2CCOCC2)CC[C@@H]1CO
InChIInChI=1S/C14H26N2O4/c1-19-10-14(18)15-13-8-16(5-2-11(13)9-17)12-3-6-20-7-4-12/h11-13,17H,2-10H2,1H3,(H,15,18)/t11-,13-/m1/s1
InChIKeyPWANAAIHTFQCCG-DGCLKSJQSA-N
XLogP-0.39
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-(Hydroxymethyl)piperidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 53515582
N-[(3S,4S)-1-cycloheptyl-4-(hydroxymethyl)piperidin-3-yl]-2-methoxyacetamide
CID 124074259
1-(4-Methylpiperazin-1-yl)-2-(piperidin-4-ylmethoxy)ethanone
CID 55061250
N-(oxan-4-yl)-2-(piperidin-4-ylmethoxy)acetamide
CID 55182268
2-Methoxy-1-[4-(oxan-4-ylmethylamino)piperidin-1-yl]ethanone
CID 62386172
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(oxan-4-yl)acetamide
CID 63099068
4-(4-Methylpiperidin-3-yl)morpholine-3,5-dione
CID 63329798
1-[4-(Hydroxymethyl)piperidin-1-yl]-2-piperidin-4-yloxyethanone
CID 63875668
N-(1-hydroxy-4-methylpentan-2-yl)-2-piperidin-4-yloxyacetamide
CID 63876579
N-methyl-N-(oxan-4-ylmethyl)-2-piperidin-4-yloxyacetamide
CID 63876942
N-[(2S)-1-[4-(hydroxymethyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methoxyacetamide
CID 75385876
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-piperidin-4-yloxyacetamide
CID 79249727

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-(hydroxymethyl)-1-(oxan-4-yl)piperidin-3-yl]-2-methoxyacetamide?
The IUPAC name of N-[(3S,4S)-4-(hydroxymethyl)-1-(oxan-4-yl)piperidin-3-yl]-2-methoxyacetamide (CID 91920876) is N-[(3S,4S)-4-(hydroxymethyl)-1-(oxan-4-yl)piperidin-3-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[(3S,4S)-4-(hydroxymethyl)-1-(oxan-4-yl)piperidin-3-yl]-2-methoxyacetamide?
The canonical SMILES for N-[(3S,4S)-4-(hydroxymethyl)-1-(oxan-4-yl)piperidin-3-yl]-2-methoxyacetamide is COCC(=O)N[C@@H]1CN(C2CCOCC2)CC[C@@H]1CO.
What is the InChIKey of N-[(3S,4S)-4-(hydroxymethyl)-1-(oxan-4-yl)piperidin-3-yl]-2-methoxyacetamide?
The InChIKey is PWANAAIHTFQCCG-DGCLKSJQSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-19-10-14(18)15-13-8-16(5-2-11(13)9-17)12-3-6-20-7-4-12/h11-13,17H,2-10H2,1H3,(H,15,18)/t11-,13-/m1/s1.
What are the key properties of N-[(3S,4S)-4-(hydroxymethyl)-1-(oxan-4-yl)piperidin-3-yl]-2-methoxyacetamide?
N-[(3S,4S)-4-(hydroxymethyl)-1-(oxan-4-yl)piperidin-3-yl]-2-methoxyacetamide has a molecular weight of 286.37 g/mol, XLogP of -0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-(hydroxymethyl)-1-(oxan-4-yl)piperidin-3-yl]-2-methoxyacetamide is sourced from PubChem (CID 91920876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).