1-(3-ethenylpiperidin-1-yl)-2-imidazol-1-ylethanone

C12H17N3O — CID 144507524

IUPAC1-(3-ethenylpiperidin-1-yl)-2-imidazol-1-ylethanone
SMILESC=CC1CCCN(C(=O)Cn2ccnc2)C1
InChIInChI=1S/C12H17N3O/c1-2-11-4-3-6-15(8-11)12(16)9-14-7-5-13-10-14/h2,5,7,10-11H,1,3-4,6,8-9H2
InChIKeyGEDZQAQEKUFVIC-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.31
Rot. Bonds3

About 1-(3-ethenylpiperidin-1-yl)-2-imidazol-1-ylethanone

1-(3-ethenylpiperidin-1-yl)-2-imidazol-1-ylethanone (PubChem CID 144507524) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-(3-ethenylpiperidin-1-yl)-2-imidazol-1-ylethanone.

Molecular Properties

Compound Name1-(3-ethenylpiperidin-1-yl)-2-imidazol-1-ylethanone
PubChem CID144507524
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-(3-ethenylpiperidin-1-yl)-2-imidazol-1-ylethanone
SMILESC=CC1CCCN(C(=O)Cn2ccnc2)C1
InChIInChI=1S/C12H17N3O/c1-2-11-4-3-6-15(8-11)12(16)9-14-7-5-13-10-14/h2,5,7,10-11H,1,3-4,6,8-9H2
InChIKeyGEDZQAQEKUFVIC-UHFFFAOYSA-N
XLogP1.31
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(3-aminoazetidin-1-yl)-2-imidazol-1-ylethanone
CID 130585938
2-imidazol-1-yl-1-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 124983601
(6S)-1-acetyl-4-(2-imidazol-1-ylacetyl)-1,4-diazepane-6-carboxamide
CID 125003753
2-imidazol-1-yl-1-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 97142143
1-(2-imidazol-1-ylacetyl)-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide
CID 72847310
1-(4-ethylpiperazin-1-yl)-2-imidazol-1-ylethanone
CID 110849987
N-[(2-chlorophenyl)methyl]-3-[1-(2-imidazol-1-ylacetyl)piperidin-3-yl]propanamide
CID 72910051
1-[(4S)-4-[[5-(dimethylamino)pyrazin-2-yl]methyl]azepan-1-yl]-2-imidazol-1-ylethanone
CID 124949477
1-(4-benzylpiperidin-1-yl)-2-imidazol-1-ylethanone
CID 110855809
1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one
CID 66260854
2-imidazol-1-yl-1-[3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 110119404
2-imidazol-1-yl-1-[4-[(E)-2-(4-methoxy-2,6-dimethylphenyl)ethenyl]piperidin-1-yl]ethanone
CID 58870180

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethenylpiperidin-1-yl)-2-imidazol-1-ylethanone?
The IUPAC name of 1-(3-ethenylpiperidin-1-yl)-2-imidazol-1-ylethanone (CID 144507524) is 1-(3-ethenylpiperidin-1-yl)-2-imidazol-1-ylethanone.
What is the SMILES notation for 1-(3-ethenylpiperidin-1-yl)-2-imidazol-1-ylethanone?
The canonical SMILES for 1-(3-ethenylpiperidin-1-yl)-2-imidazol-1-ylethanone is C=CC1CCCN(C(=O)Cn2ccnc2)C1.
What is the InChIKey of 1-(3-ethenylpiperidin-1-yl)-2-imidazol-1-ylethanone?
The InChIKey is GEDZQAQEKUFVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-2-11-4-3-6-15(8-11)12(16)9-14-7-5-13-10-14/h2,5,7,10-11H,1,3-4,6,8-9H2.
What are the key properties of 1-(3-ethenylpiperidin-1-yl)-2-imidazol-1-ylethanone?
1-(3-ethenylpiperidin-1-yl)-2-imidazol-1-ylethanone has a molecular weight of 219.29 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethenylpiperidin-1-yl)-2-imidazol-1-ylethanone is sourced from PubChem (CID 144507524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).