2-(4-acetyl-1-methylpiperidin-1-ium-1-yl)acetamide

C10H19N2O2+ — CID 166474213

IUPAC2-(4-acetyl-1-methylpiperidin-1-ium-1-yl)acetamide
SMILESCC(=O)C1CC[N+](C)(CC(N)=O)CC1
InChIInChI=1S/C10H18N2O2/c1-8(13)9-3-5-12(2,6-4-9)7-10(11)14/h9H,3-7H2,1-2H3,(H-,11,14)/p+1
InChIKeyQYZNPGHTIVEHTN-UHFFFAOYSA-O
MW199.27 g/mol
LogP-0.08
Rot. Bonds3

About 2-(4-acetyl-1-methylpiperidin-1-ium-1-yl)acetamide

2-(4-acetyl-1-methylpiperidin-1-ium-1-yl)acetamide (PubChem CID 166474213) has the molecular formula C10H19N2O2+ and a molecular weight of 199.27 g/mol. Its IUPAC name is 2-(4-acetyl-1-methylpiperidin-1-ium-1-yl)acetamide.

Molecular Properties

Compound Name2-(4-acetyl-1-methylpiperidin-1-ium-1-yl)acetamide
PubChem CID166474213
Molecular FormulaC10H19N2O2+
Molecular Weight199.27 g/mol
Exact Mass199.14
IUPAC Name2-(4-acetyl-1-methylpiperidin-1-ium-1-yl)acetamide
SMILESCC(=O)C1CC[N+](C)(CC(N)=O)CC1
InChIInChI=1S/C10H18N2O2/c1-8(13)9-3-5-12(2,6-4-9)7-10(11)14/h9H,3-7H2,1-2H3,(H-,11,14)/p+1
InChIKeyQYZNPGHTIVEHTN-UHFFFAOYSA-O
XLogP-0.08
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-acetylpiperidin-1-yl)acetamide
CID 59463755
1-cyclopentylethanone;propane
CID 145026358
2-(4-methyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)acetamide
CID 20676097
1-(1,1-dimethylpiperidin-1-ium-3-yl)ethanone
CID 134125690
1-(4-aminocyclohexyl)ethanone;hydrochloride
CID 66728623
ethyl 1-methyl-1-propylpiperidin-1-ium-4-carboxylate
CID 123260543
4-acetyl-N-(aminomethyl)cyclohexane-1-carboxamide
CID 169021448
[4-acetyl-1-(2-methylprop-2-enyl)piperidin-1-ium-1-yl] benzenesulfonate
CID 123251528
1-(4-acetylcyclohexyl)-2-bromoethanone
CID 170239235
1-(4-amino-4-hydroxycyclohexyl)ethanone
CID 45108322
cyclopropanecarboxamide;propanamide
CID 174752815
4-acetylcyclohexane-1-carbonyl chloride
CID 118944130

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-1-methylpiperidin-1-ium-1-yl)acetamide?
The IUPAC name of 2-(4-acetyl-1-methylpiperidin-1-ium-1-yl)acetamide (CID 166474213) is 2-(4-acetyl-1-methylpiperidin-1-ium-1-yl)acetamide.
What is the SMILES notation for 2-(4-acetyl-1-methylpiperidin-1-ium-1-yl)acetamide?
The canonical SMILES for 2-(4-acetyl-1-methylpiperidin-1-ium-1-yl)acetamide is CC(=O)C1CC[N+](C)(CC(N)=O)CC1.
What is the InChIKey of 2-(4-acetyl-1-methylpiperidin-1-ium-1-yl)acetamide?
The InChIKey is QYZNPGHTIVEHTN-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H18N2O2/c1-8(13)9-3-5-12(2,6-4-9)7-10(11)14/h9H,3-7H2,1-2H3,(H-,11,14)/p+1.
What are the key properties of 2-(4-acetyl-1-methylpiperidin-1-ium-1-yl)acetamide?
2-(4-acetyl-1-methylpiperidin-1-ium-1-yl)acetamide has a molecular weight of 199.27 g/mol, XLogP of -0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-1-methylpiperidin-1-ium-1-yl)acetamide is sourced from PubChem (CID 166474213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).