1-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-2-yl]propan-2-one

C14H23N3O — CID 79537003

IUPAC1-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-2-yl]propan-2-one
SMILESCCn1cncc1CN1CCCCC1CC(C)=O
InChIInChI=1S/C14H23N3O/c1-3-16-11-15-9-14(16)10-17-7-5-4-6-13(17)8-12(2)18/h9,11,13H,3-8,10H2,1-2H3
InChIKeyIREXMRZTAZYKTL-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.24
Rot. Bonds5

About 1-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-2-yl]propan-2-one

1-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-2-yl]propan-2-one (PubChem CID 79537003) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-2-yl]propan-2-one
PubChem CID79537003
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-2-yl]propan-2-one
SMILESCCn1cncc1CN1CCCCC1CC(C)=O
InChIInChI=1S/C14H23N3O/c1-3-16-11-15-9-14(16)10-17-7-5-4-6-13(17)8-12(2)18/h9,11,13H,3-8,10H2,1-2H3
InChIKeyIREXMRZTAZYKTL-UHFFFAOYSA-N
XLogP2.24
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(3-cyclopropylimidazol-4-yl)methyl]azepan-2-yl]propan-2-one
CID 79559770
[1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 66154354
1-[(3-ethylimidazol-4-yl)methyl]azepane-2-carboxylic acid
CID 66132706
1-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]ethanone
CID 66154910
1-[1-(pyrimidin-2-ylmethyl)piperidin-2-yl]propan-2-one
CID 79539105
1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]propan-2-one
CID 79539306
1-[1-(pyridin-3-ylmethyl)azepan-2-yl]propan-2-one
CID 79560623
2-[1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one
CID 79549276
1-[1-[(1-methyltriazol-4-yl)methyl]piperidin-2-yl]propan-2-one
CID 107043029
1-[1-[(3-propylimidazol-4-yl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 114338610
N-[(3-ethylimidazol-4-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine
CID 66133644
ethyl 1-[(3-ethylimidazol-4-yl)methyl]piperidine-4-carboxylate
CID 66155315

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-2-yl]propan-2-one?
The IUPAC name of 1-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-2-yl]propan-2-one (CID 79537003) is 1-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-2-yl]propan-2-one?
The canonical SMILES for 1-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-2-yl]propan-2-one is CCn1cncc1CN1CCCCC1CC(C)=O.
What is the InChIKey of 1-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-2-yl]propan-2-one?
The InChIKey is IREXMRZTAZYKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-16-11-15-9-14(16)10-17-7-5-4-6-13(17)8-12(2)18/h9,11,13H,3-8,10H2,1-2H3.
What are the key properties of 1-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-2-yl]propan-2-one?
1-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-2-yl]propan-2-one has a molecular weight of 249.36 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-2-yl]propan-2-one is sourced from PubChem (CID 79537003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).