2-methyl-6-(1-methylimidazol-4-yl)piperidin-4-one

C10H15N3O — CID 82401919

IUPAC2-methyl-6-(1-methylimidazol-4-yl)piperidin-4-one
SMILESCC1CC(=O)CC(c2cn(C)cn2)N1
InChIInChI=1S/C10H15N3O/c1-7-3-8(14)4-9(12-7)10-5-13(2)6-11-10/h5-7,9,12H,3-4H2,1-2H3
InChIKeyVNIAFYPQRHTUCQ-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.80
Rot. Bonds1

About 2-methyl-6-(1-methylimidazol-4-yl)piperidin-4-one

2-methyl-6-(1-methylimidazol-4-yl)piperidin-4-one (PubChem CID 82401919) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-methyl-6-(1-methylimidazol-4-yl)piperidin-4-one.

Molecular Properties

Compound Name2-methyl-6-(1-methylimidazol-4-yl)piperidin-4-one
PubChem CID82401919
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name2-methyl-6-(1-methylimidazol-4-yl)piperidin-4-one
SMILESCC1CC(=O)CC(c2cn(C)cn2)N1
InChIInChI=1S/C10H15N3O/c1-7-3-8(14)4-9(12-7)10-5-13(2)6-11-10/h5-7,9,12H,3-4H2,1-2H3
InChIKeyVNIAFYPQRHTUCQ-UHFFFAOYSA-N
XLogP0.80
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-one
CID 164725953
2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-one
CID 175903666
2-methyl-6-(1-methylimidazol-2-yl)piperidin-4-one
CID 82401923
2,6-dimethylpiperidin-4-one
CID 11040712
2-methyl-6-(2-methyl-1,3-dihydroisoindol-5-yl)piperidin-4-one
CID 82385584
2-ethyl-6-(1-methyltriazol-4-yl)piperidin-4-one
CID 163506754
2-cyclopropyl-6-(1-methyltriazol-4-yl)piperidin-4-one
CID 175445816
2-(1-methylimidazol-4-yl)-1,3-thiazolidine-4-carboxylic acid
CID 126985113
(6R)-2-(3-chlorophenyl)-6-methylpiperidin-4-one
CID 70165727
(3,5-dimethylpiperazin-1-yl)-(1-methylimidazol-4-yl)methanone
CID 20703295
tert-butyl (2S,6S)-6-methyl-4-oxo-2-[1-(trideuterio(113C)methyl)triazol-4-yl]piperidine-3-carboxylate;bis((2S,6S)-2-methyl-6-[1-(trideuterio(113C)methyl)triazol-4-yl]piperidin-4-one)
CID 165042004
1-methyl-4-(3-propan-2-ylazetidin-2-yl)imidazole
CID 130878051

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(1-methylimidazol-4-yl)piperidin-4-one?
The IUPAC name of 2-methyl-6-(1-methylimidazol-4-yl)piperidin-4-one (CID 82401919) is 2-methyl-6-(1-methylimidazol-4-yl)piperidin-4-one.
What is the SMILES notation for 2-methyl-6-(1-methylimidazol-4-yl)piperidin-4-one?
The canonical SMILES for 2-methyl-6-(1-methylimidazol-4-yl)piperidin-4-one is CC1CC(=O)CC(c2cn(C)cn2)N1.
What is the InChIKey of 2-methyl-6-(1-methylimidazol-4-yl)piperidin-4-one?
The InChIKey is VNIAFYPQRHTUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-7-3-8(14)4-9(12-7)10-5-13(2)6-11-10/h5-7,9,12H,3-4H2,1-2H3.
What are the key properties of 2-methyl-6-(1-methylimidazol-4-yl)piperidin-4-one?
2-methyl-6-(1-methylimidazol-4-yl)piperidin-4-one has a molecular weight of 193.25 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(1-methylimidazol-4-yl)piperidin-4-one is sourced from PubChem (CID 82401919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).