N-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl]acetamide

C9H18N2O4 — CID 10889373

IUPACN-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1N[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C9H18N2O4/c1-4-7(13)9(15)8(14)6(11-4)3-10-5(2)12/h4,6-9,11,13-15H,3H2,1-2H3,(H,10,12)/t4-,6+,7+,8+,9+/m0/s1
InChIKeyPCXCXTZASITUBF-GDJKBKKHSA-N
MW218.25 g/mol
LogP-2.43
Rot. Bonds2

About N-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl]acetamide

N-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl]acetamide (PubChem CID 10889373) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is N-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl]acetamide
PubChem CID10889373
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC NameN-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1N[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C9H18N2O4/c1-4-7(13)9(15)8(14)6(11-4)3-10-5(2)12/h4,6-9,11,13-15H,3H2,1-2H3,(H,10,12)/t4-,6+,7+,8+,9+/m0/s1
InChIKeyPCXCXTZASITUBF-GDJKBKKHSA-N
XLogP-2.43
TPSA101.82 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-2.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze N-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
N-[(3s,4r,5r,6s)-4,5,6-Trihydroxyazepan-3-Yl]acetamide
CID 42632559
Iminocyclitol, 6
CID 22073436
Acetamidodeoxynojirimycin
CID 10443438
2-Acetamido-1,2-dideoxynojirimycin Hydrochloride
CID 57384041
1-N-acetyl-2-acetamido-beta-glucopyranosylamine
CID 165420
N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide
CID 452004
N-[1-(7-aminoheptyl)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide, 2
CID 50997770
2-Amino-N-(3,4,5-trihydroxy-2-hydroxymethyl-6-methyl-piperidin-2-ylmethyl)-acetamide
CID 44341420
N-[[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]acetamide
CID 46228103

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl]acetamide?
The IUPAC name of N-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl]acetamide (CID 10889373) is N-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl]acetamide?
The canonical SMILES for N-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl]acetamide is CC(=O)NC[C@H]1N[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of N-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl]acetamide?
The InChIKey is PCXCXTZASITUBF-GDJKBKKHSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-4-7(13)9(15)8(14)6(11-4)3-10-5(2)12/h4,6-9,11,13-15H,3H2,1-2H3,(H,10,12)/t4-,6+,7+,8+,9+/m0/s1.
What are the key properties of N-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl]acetamide?
N-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl]acetamide has a molecular weight of 218.25 g/mol, XLogP of -2.43, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl]acetamide is sourced from PubChem (CID 10889373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).