2-methyl-6-(5-methyl-1H-imidazol-4-yl)piperidin-4-one

C10H15N3O — CID 82401920

IUPAC2-methyl-6-(5-methyl-1H-imidazol-4-yl)piperidin-4-one
SMILESCc1[nH]cnc1C1CC(=O)CC(C)N1
InChIInChI=1S/C10H15N3O/c1-6-3-8(14)4-9(13-6)10-7(2)11-5-12-10/h5-6,9,13H,3-4H2,1-2H3,(H,11,12)
InChIKeyFYPJMQDEQIYQMU-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.10
Rot. Bonds1

About 2-methyl-6-(5-methyl-1H-imidazol-4-yl)piperidin-4-one

2-methyl-6-(5-methyl-1H-imidazol-4-yl)piperidin-4-one (PubChem CID 82401920) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-methyl-6-(5-methyl-1H-imidazol-4-yl)piperidin-4-one.

Molecular Properties

Compound Name2-methyl-6-(5-methyl-1H-imidazol-4-yl)piperidin-4-one
PubChem CID82401920
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name2-methyl-6-(5-methyl-1H-imidazol-4-yl)piperidin-4-one
SMILESCc1[nH]cnc1C1CC(=O)CC(C)N1
InChIInChI=1S/C10H15N3O/c1-6-3-8(14)4-9(13-6)10-7(2)11-5-12-10/h5-6,9,13H,3-4H2,1-2H3,(H,11,12)
InChIKeyFYPJMQDEQIYQMU-UHFFFAOYSA-N
XLogP1.10
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(5-methyl-1H-imidazol-4-yl)piperidin-4-one?
The IUPAC name of 2-methyl-6-(5-methyl-1H-imidazol-4-yl)piperidin-4-one (CID 82401920) is 2-methyl-6-(5-methyl-1H-imidazol-4-yl)piperidin-4-one.
What is the SMILES notation for 2-methyl-6-(5-methyl-1H-imidazol-4-yl)piperidin-4-one?
The canonical SMILES for 2-methyl-6-(5-methyl-1H-imidazol-4-yl)piperidin-4-one is Cc1[nH]cnc1C1CC(=O)CC(C)N1.
What is the InChIKey of 2-methyl-6-(5-methyl-1H-imidazol-4-yl)piperidin-4-one?
The InChIKey is FYPJMQDEQIYQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-6-3-8(14)4-9(13-6)10-7(2)11-5-12-10/h5-6,9,13H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 2-methyl-6-(5-methyl-1H-imidazol-4-yl)piperidin-4-one?
2-methyl-6-(5-methyl-1H-imidazol-4-yl)piperidin-4-one has a molecular weight of 193.25 g/mol, XLogP of 1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(5-methyl-1H-imidazol-4-yl)piperidin-4-one is sourced from PubChem (CID 82401920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).