1-(2-ethylpiperidin-1-yl)-3-imidazol-1-ylpropan-1-one

C13H21N3O — CID 4876352

IUPAC1-(2-ethylpiperidin-1-yl)-3-imidazol-1-ylpropan-1-one
SMILESCCC1CCCCN1C(=O)CCn1ccnc1
InChIInChI=1S/C13H21N3O/c1-2-12-5-3-4-8-16(12)13(17)6-9-15-10-7-14-11-15/h7,10-12H,2-6,8-9H2,1H3
InChIKeyLVYIHIWNCGZDGT-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.06
Rot. Bonds4

About 1-(2-ethylpiperidin-1-yl)-3-imidazol-1-ylpropan-1-one

1-(2-ethylpiperidin-1-yl)-3-imidazol-1-ylpropan-1-one (PubChem CID 4876352) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(2-ethylpiperidin-1-yl)-3-imidazol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(2-ethylpiperidin-1-yl)-3-imidazol-1-ylpropan-1-one
PubChem CID4876352
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-(2-ethylpiperidin-1-yl)-3-imidazol-1-ylpropan-1-one
SMILESCCC1CCCCN1C(=O)CCn1ccnc1
InChIInChI=1S/C13H21N3O/c1-2-12-5-3-4-8-16(12)13(17)6-9-15-10-7-14-11-15/h7,10-12H,2-6,8-9H2,1H3
InChIKeyLVYIHIWNCGZDGT-UHFFFAOYSA-N
XLogP2.06
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2-ethylpiperidin-1-yl)-3-imidazol-1-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1H-imidazol-1-yl)(piperidin-1-yl)methanone
CID 949902
3-methyl-1-(piperidine-1-carbonyl)-1H-imidazol-3-ium iodide
CID 43112145
1-[4-(Dimethylamino)-1-piperidinyl]-3-(1-methyl-1H-imidazol-2-yl)-1-propanone
CID 71738795
N-cyclohexyl-2-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]acetamide
CID 44054736
N-heptyl-2-imidazol-1-yl-acetamide
CID 44139805
4-acetyl-N-(1-imidazol-1-ylpropan-2-yl)piperazine-1-carboxamide
CID 47253569
1-(Azepan-1-yl)-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-1-one
CID 53554684
1-(Azepan-1-yl)-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]propan-1-one
CID 53557751
2-[4-[(1-Ethylimidazol-2-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 53559979
N-cyclohexyl-3-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]propanamide
CID 53564845
1-(3-Imidazol-1-ylpiperidin-1-yl)-3-methylsulfanylpropan-1-one
CID 53595147
1-(3-Imidazol-1-ylpiperidin-1-yl)-2-[methyl(pyrazin-2-yl)amino]ethanone
CID 53599593

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpiperidin-1-yl)-3-imidazol-1-ylpropan-1-one?
The IUPAC name of 1-(2-ethylpiperidin-1-yl)-3-imidazol-1-ylpropan-1-one (CID 4876352) is 1-(2-ethylpiperidin-1-yl)-3-imidazol-1-ylpropan-1-one.
What is the SMILES notation for 1-(2-ethylpiperidin-1-yl)-3-imidazol-1-ylpropan-1-one?
The canonical SMILES for 1-(2-ethylpiperidin-1-yl)-3-imidazol-1-ylpropan-1-one is CCC1CCCCN1C(=O)CCn1ccnc1.
What is the InChIKey of 1-(2-ethylpiperidin-1-yl)-3-imidazol-1-ylpropan-1-one?
The InChIKey is LVYIHIWNCGZDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-12-5-3-4-8-16(12)13(17)6-9-15-10-7-14-11-15/h7,10-12H,2-6,8-9H2,1H3.
What are the key properties of 1-(2-ethylpiperidin-1-yl)-3-imidazol-1-ylpropan-1-one?
1-(2-ethylpiperidin-1-yl)-3-imidazol-1-ylpropan-1-one has a molecular weight of 235.33 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpiperidin-1-yl)-3-imidazol-1-ylpropan-1-one is sourced from PubChem (CID 4876352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).