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

C9H18N2O4 — CID 53432038

IUPACN-[(3,4,5-trihydroxy-6-methylpiperidin-2-yl)methyl]acetamide
SMILESCC(=O)NCC1NC(C)C(O)C(O)C1O
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)
InChIKeyPCXCXTZASITUBF-UHFFFAOYSA-N
MW218.25 g/mol
LogP-2.43
Rot. Bonds2

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

N-[(3,4,5-trihydroxy-6-methylpiperidin-2-yl)methyl]acetamide (PubChem CID 53432038) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is N-[(3,4,5-trihydroxy-6-methylpiperidin-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(3,4,5-trihydroxy-6-methylpiperidin-2-yl)methyl]acetamide
PubChem CID53432038
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC NameN-[(3,4,5-trihydroxy-6-methylpiperidin-2-yl)methyl]acetamide
SMILESCC(=O)NCC1NC(C)C(O)C(O)C1O
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)
InChIKeyPCXCXTZASITUBF-UHFFFAOYSA-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

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Related Compounds

N-[[(2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]acetamide
CID 25181193
N-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl]but-3-ynamide
CID 11064572
(2R,3S,4R,5S,6S)-2-(hydroxymethyl)-6-methylpiperidine-3,4,5-triol
CID 10654879
(2S,3R,4R,5R,6S)-2-(aminomethyl)-6-methylpiperidine-3,4,5-triol
CID 10420740
N-[[(2S,3R,4S)-3,4-dihydroxypyrrolidin-2-yl]methyl]acetamide
CID 131052722
(2S,4R)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol
CID 89290989
(4S)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol
CID 59973652
(2S,3R,4S,5R)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol
CID 21129912
N-[(3-methylpiperidin-2-yl)methyl]acetamide
CID 63305307
N-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-1-pyridin-2-ylethyl)pyrrolidin-2-yl]methyl]acetamide
CID 90044302
N-[[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]acetamide
CID 146048184
(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-N,6-dimethylpiperidine-2-carboxamide
CID 10488407

Frequently Asked Questions

What is the IUPAC name of N-[(3,4,5-trihydroxy-6-methylpiperidin-2-yl)methyl]acetamide?
The IUPAC name of N-[(3,4,5-trihydroxy-6-methylpiperidin-2-yl)methyl]acetamide (CID 53432038) is N-[(3,4,5-trihydroxy-6-methylpiperidin-2-yl)methyl]acetamide.
What is the SMILES notation for N-[(3,4,5-trihydroxy-6-methylpiperidin-2-yl)methyl]acetamide?
The canonical SMILES for N-[(3,4,5-trihydroxy-6-methylpiperidin-2-yl)methyl]acetamide is CC(=O)NCC1NC(C)C(O)C(O)C1O.
What is the InChIKey of N-[(3,4,5-trihydroxy-6-methylpiperidin-2-yl)methyl]acetamide?
The InChIKey is PCXCXTZASITUBF-UHFFFAOYSA-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).
What are the key properties of N-[(3,4,5-trihydroxy-6-methylpiperidin-2-yl)methyl]acetamide?
N-[(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-[(3,4,5-trihydroxy-6-methylpiperidin-2-yl)methyl]acetamide is sourced from PubChem (CID 53432038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).