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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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).