N-[4,5-dihydroxy-6-(hydroxymethyl)-1-methylpiperidin-3-yl]acetamide

C9H18N2O4 — CID 22073436

IUPACN-[4,5-dihydroxy-6-(hydroxymethyl)-1-methylpiperidin-3-yl]acetamide
SMILESCC(=O)NC1CN(C)C(CO)C(O)C1O
InChIInChI=1S/C9H18N2O4/c1-5(13)10-6-3-11(2)7(4-12)9(15)8(6)14/h6-9,12,14-15H,3-4H2,1-2H3,(H,10,13)
InChIKeyVUPOCHJXEMUXQZ-UHFFFAOYSA-N
MW218.25 g/mol
LogP-2.48
Rot. Bonds2

About N-[4,5-dihydroxy-6-(hydroxymethyl)-1-methylpiperidin-3-yl]acetamide

N-[4,5-dihydroxy-6-(hydroxymethyl)-1-methylpiperidin-3-yl]acetamide (PubChem CID 22073436) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is N-[4,5-dihydroxy-6-(hydroxymethyl)-1-methylpiperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[4,5-dihydroxy-6-(hydroxymethyl)-1-methylpiperidin-3-yl]acetamide
PubChem CID22073436
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC NameN-[4,5-dihydroxy-6-(hydroxymethyl)-1-methylpiperidin-3-yl]acetamide
SMILESCC(=O)NC1CN(C)C(CO)C(O)C1O
InChIInChI=1S/C9H18N2O4/c1-5(13)10-6-3-11(2)7(4-12)9(15)8(6)14/h6-9,12,14-15H,3-4H2,1-2H3,(H,10,13)
InChIKeyVUPOCHJXEMUXQZ-UHFFFAOYSA-N
XLogP-2.48
TPSA93.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-2.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

beta-D-erythro-Hexopyranos-2-ulose, 1,6-anhydro-3-deoxy-4-O-(phenylmethyl)-, dimethyl acetal
CID 439454
2-Acetamido-1,5-imino-1,2,5-trideoxy-D-glucitol
CID 122617
6-Acetamido-6-Deoxy-Castanospermine
CID 9837515
methyl 2-(acetylamino)-2-deoxy-1-seleno-beta-D-galactopyranoside
CID 11551129
N-(((2R,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-methylpiperidin-2-yl)methyl)acetamide
CID 10889373
N-[(3s,4r,5r,6s)-4,5,6-Trihydroxyazepan-3-Yl]acetamide
CID 42632559
Acetamidodeoxynojirimycin
CID 10443438
2-Acetamido-1,2-dideoxynojirimycin Hydrochloride
CID 57384041
1-N-acetyl-2-acetamido-beta-glucopyranosylamine
CID 165420
2-Deoxy-2-acetamido-mannitol
CID 449222
N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide
CID 452004
1-Deoxy-N-acetylglucosamine
CID 444205

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dihydroxy-6-(hydroxymethyl)-1-methylpiperidin-3-yl]acetamide?
The IUPAC name of N-[4,5-dihydroxy-6-(hydroxymethyl)-1-methylpiperidin-3-yl]acetamide (CID 22073436) is N-[4,5-dihydroxy-6-(hydroxymethyl)-1-methylpiperidin-3-yl]acetamide.
What is the SMILES notation for N-[4,5-dihydroxy-6-(hydroxymethyl)-1-methylpiperidin-3-yl]acetamide?
The canonical SMILES for N-[4,5-dihydroxy-6-(hydroxymethyl)-1-methylpiperidin-3-yl]acetamide is CC(=O)NC1CN(C)C(CO)C(O)C1O.
What is the InChIKey of N-[4,5-dihydroxy-6-(hydroxymethyl)-1-methylpiperidin-3-yl]acetamide?
The InChIKey is VUPOCHJXEMUXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-5(13)10-6-3-11(2)7(4-12)9(15)8(6)14/h6-9,12,14-15H,3-4H2,1-2H3,(H,10,13).
What are the key properties of N-[4,5-dihydroxy-6-(hydroxymethyl)-1-methylpiperidin-3-yl]acetamide?
N-[4,5-dihydroxy-6-(hydroxymethyl)-1-methylpiperidin-3-yl]acetamide has a molecular weight of 218.25 g/mol, XLogP of -2.48, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dihydroxy-6-(hydroxymethyl)-1-methylpiperidin-3-yl]acetamide is sourced from PubChem (CID 22073436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).