1-(2-imidazol-1-ylethyl)-3-methylpiperidin-4-one

C11H17N3O — CID 114500368

IUPAC1-(2-imidazol-1-ylethyl)-3-methylpiperidin-4-one
SMILESCC1CN(CCn2ccnc2)CCC1=O
InChIInChI=1S/C11H17N3O/c1-10-8-13(4-2-11(10)15)6-7-14-5-3-12-9-14/h3,5,9-10H,2,4,6-8H2,1H3
InChIKeyCAESTFMKKQVHJR-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.79
Rot. Bonds3

About 1-(2-imidazol-1-ylethyl)-3-methylpiperidin-4-one

1-(2-imidazol-1-ylethyl)-3-methylpiperidin-4-one (PubChem CID 114500368) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-(2-imidazol-1-ylethyl)-3-methylpiperidin-4-one.

Molecular Properties

Compound Name1-(2-imidazol-1-ylethyl)-3-methylpiperidin-4-one
PubChem CID114500368
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-(2-imidazol-1-ylethyl)-3-methylpiperidin-4-one
SMILESCC1CN(CCn2ccnc2)CCC1=O
InChIInChI=1S/C11H17N3O/c1-10-8-13(4-2-11(10)15)6-7-14-5-3-12-9-14/h3,5,9-10H,2,4,6-8H2,1H3
InChIKeyCAESTFMKKQVHJR-UHFFFAOYSA-N
XLogP0.79
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(2-imidazol-1-ylethyl)pyrrolidin-3-amine
CID 94340676
[1-(2-imidazol-1-ylethyl)-4-methylpiperidin-3-yl]methanamine
CID 114961289
1-(2-pyrrolidin-1-ylethyl)imidazole
CID 19964498
[1-(2-imidazol-1-ylethyl)pyrrolidin-3-yl]methanamine
CID 61462956
1-[1-(2-imidazol-1-ylethyl)pyrrolidin-3-yl]ethanol
CID 112628258
1-[1-(2-imidazol-1-ylethyl)piperidin-3-yl]ethanamine
CID 63848734
[4-(2-imidazol-1-ylethyl)morpholin-2-yl]methanamine
CID 112703863
3-chloro-1-(3-imidazol-1-ylpropyl)-4-methylpiperidine
CID 102960102
2-[4-(2-imidazol-1-ylethyl)morpholin-2-yl]acetic acid
CID 66434098
2-[[1-(2-imidazol-1-ylethyl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928767
1-cyclohexyl-4-[1-(2-imidazol-1-ylethyl)azetidin-3-yl]piperazine
CID 126892681
4-[2-imidazol-1-ylethyl(methyl)amino]cyclohexan-1-one
CID 79119511

Frequently Asked Questions

What is the IUPAC name of 1-(2-imidazol-1-ylethyl)-3-methylpiperidin-4-one?
The IUPAC name of 1-(2-imidazol-1-ylethyl)-3-methylpiperidin-4-one (CID 114500368) is 1-(2-imidazol-1-ylethyl)-3-methylpiperidin-4-one.
What is the SMILES notation for 1-(2-imidazol-1-ylethyl)-3-methylpiperidin-4-one?
The canonical SMILES for 1-(2-imidazol-1-ylethyl)-3-methylpiperidin-4-one is CC1CN(CCn2ccnc2)CCC1=O.
What is the InChIKey of 1-(2-imidazol-1-ylethyl)-3-methylpiperidin-4-one?
The InChIKey is CAESTFMKKQVHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-10-8-13(4-2-11(10)15)6-7-14-5-3-12-9-14/h3,5,9-10H,2,4,6-8H2,1H3.
What are the key properties of 1-(2-imidazol-1-ylethyl)-3-methylpiperidin-4-one?
1-(2-imidazol-1-ylethyl)-3-methylpiperidin-4-one has a molecular weight of 207.28 g/mol, XLogP of 0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-imidazol-1-ylethyl)-3-methylpiperidin-4-one is sourced from PubChem (CID 114500368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).