3-acetyl-1,6-dimethyl-4-(methylamino)piperidin-2-one

C10H18N2O2 — CID 3020214

IUPAC3-acetyl-1,6-dimethyl-4-(methylamino)piperidin-2-one
SMILESCNC1CC(C)N(C)C(=O)C1C(C)=O
InChIInChI=1S/C10H18N2O2/c1-6-5-8(11-3)9(7(2)13)10(14)12(6)4/h6,8-9,11H,5H2,1-4H3
InChIKeyUGJBAYQPTJWINJ-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.03
Rot. Bonds2

About 3-acetyl-1,6-dimethyl-4-(methylamino)piperidin-2-one

3-acetyl-1,6-dimethyl-4-(methylamino)piperidin-2-one (PubChem CID 3020214) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 3-acetyl-1,6-dimethyl-4-(methylamino)piperidin-2-one.

Molecular Properties

Compound Name3-acetyl-1,6-dimethyl-4-(methylamino)piperidin-2-one
PubChem CID3020214
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name3-acetyl-1,6-dimethyl-4-(methylamino)piperidin-2-one
SMILESCNC1CC(C)N(C)C(=O)C1C(C)=O
InChIInChI=1S/C10H18N2O2/c1-6-5-8(11-3)9(7(2)13)10(14)12(6)4/h6,8-9,11H,5H2,1-4H3
InChIKeyUGJBAYQPTJWINJ-UHFFFAOYSA-N
XLogP0.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-1-(1,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]acetamide
CID 54376263
3-fluoro-1,5-dimethylpyrrolidin-2-one
CID 118331524
3,4-diacetyl-1-hydroxypyrrolidine-2,5-dione
CID 141086126
3-[(1R)-1-(ethylamino)ethyl]-1,5-dimethylpyrrolidin-2-one
CID 54453682
[1-methyl-3-(methylamino)-4-oxoazetidin-2-yl] acetate
CID 54257749
methyl (2S)-1,4-dimethyl-5-oxopyrrolidine-2-carboxylate
CID 163762607
(3S)-5-acetyl-3-hydroxy-1,4-dimethylpyrrolidin-2-one
CID 59113726
1-hydroxy-3,4-dimethylimidazolidin-2-one
CID 154468014
methyl (1R,4S,6R)-2-methyl-3-oxo-2-azabicyclo[2.2.2]oct-7-ene-6-carboxylate
CID 101269122
(3R,4S,5R)-3-acetyl-4,5-dimethyl-1-propan-2-ylpyrrolidin-2-one
CID 59097313
(1R)-N,2-dimethylcyclopropan-1-amine
CID 54266879
2,5-dihydroxy-3-(methylamino)cyclopentan-1-one
CID 174282703

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1,6-dimethyl-4-(methylamino)piperidin-2-one?
The IUPAC name of 3-acetyl-1,6-dimethyl-4-(methylamino)piperidin-2-one (CID 3020214) is 3-acetyl-1,6-dimethyl-4-(methylamino)piperidin-2-one.
What is the SMILES notation for 3-acetyl-1,6-dimethyl-4-(methylamino)piperidin-2-one?
The canonical SMILES for 3-acetyl-1,6-dimethyl-4-(methylamino)piperidin-2-one is CNC1CC(C)N(C)C(=O)C1C(C)=O.
What is the InChIKey of 3-acetyl-1,6-dimethyl-4-(methylamino)piperidin-2-one?
The InChIKey is UGJBAYQPTJWINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-6-5-8(11-3)9(7(2)13)10(14)12(6)4/h6,8-9,11H,5H2,1-4H3.
What are the key properties of 3-acetyl-1,6-dimethyl-4-(methylamino)piperidin-2-one?
3-acetyl-1,6-dimethyl-4-(methylamino)piperidin-2-one has a molecular weight of 198.27 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1,6-dimethyl-4-(methylamino)piperidin-2-one is sourced from PubChem (CID 3020214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).