5-ethenyl-3-piperidin-4-yl-4-[(Z)-prop-1-enyl]-1H-imidazol-2-one

C13H19N3O — CID 142817393

IUPAC5-ethenyl-3-piperidin-4-yl-4-[(Z)-prop-1-enyl]-1H-imidazol-2-one
SMILESC=Cc1[nH]c(=O)n(C2CCNCC2)c1/C=C\C
InChIInChI=1S/C13H19N3O/c1-3-5-12-11(4-2)15-13(17)16(12)10-6-8-14-9-7-10/h3-5,10,14H,2,6-9H2,1H3,(H,15,17)/b5-3-
InChIKeyHYIJFEGWNCATPD-HYXAFXHYSA-N
MW233.31 g/mol
LogP1.78
Rot. Bonds3

About 5-ethenyl-3-piperidin-4-yl-4-[(Z)-prop-1-enyl]-1H-imidazol-2-one

5-ethenyl-3-piperidin-4-yl-4-[(Z)-prop-1-enyl]-1H-imidazol-2-one (PubChem CID 142817393) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 5-ethenyl-3-piperidin-4-yl-4-[(Z)-prop-1-enyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name5-ethenyl-3-piperidin-4-yl-4-[(Z)-prop-1-enyl]-1H-imidazol-2-one
PubChem CID142817393
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name5-ethenyl-3-piperidin-4-yl-4-[(Z)-prop-1-enyl]-1H-imidazol-2-one
SMILESC=Cc1[nH]c(=O)n(C2CCNCC2)c1/C=C\C
InChIInChI=1S/C13H19N3O/c1-3-5-12-11(4-2)15-13(17)16(12)10-6-8-14-9-7-10/h3-5,10,14H,2,6-9H2,1H3,(H,15,17)/b5-3-
InChIKeyHYIJFEGWNCATPD-HYXAFXHYSA-N
XLogP1.78
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-ethenyl-5-[(Z)-ethylideneamino]-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde
CID 143218101
6-chloro-3-piperidin-4-yl-1H-pyrimidine-2,4-dione;hydrochloride
CID 174989220
7-fluoro-5-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride
CID 68624025
4-[4-ethenyl-5-[(Z)-ethylideneamino]-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde;methanamine
CID 143218100
3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide
CID 139765668
4,5-bis(ethenyl)-3-prop-1-en-2-yl-1H-imidazol-2-one
CID 143009973
4-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide
CID 22380690
6-fluoro-5-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one
CID 59850210
5-methoxy-3-piperidin-4-yl-1H-benzimidazol-2-one
CID 22928792
4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-dihydroimidazol-2-one
CID 130247435
4-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one
CID 84796017
6-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one
CID 83415288

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-3-piperidin-4-yl-4-[(Z)-prop-1-enyl]-1H-imidazol-2-one?
The IUPAC name of 5-ethenyl-3-piperidin-4-yl-4-[(Z)-prop-1-enyl]-1H-imidazol-2-one (CID 142817393) is 5-ethenyl-3-piperidin-4-yl-4-[(Z)-prop-1-enyl]-1H-imidazol-2-one.
What is the SMILES notation for 5-ethenyl-3-piperidin-4-yl-4-[(Z)-prop-1-enyl]-1H-imidazol-2-one?
The canonical SMILES for 5-ethenyl-3-piperidin-4-yl-4-[(Z)-prop-1-enyl]-1H-imidazol-2-one is C=Cc1[nH]c(=O)n(C2CCNCC2)c1/C=C\C.
What is the InChIKey of 5-ethenyl-3-piperidin-4-yl-4-[(Z)-prop-1-enyl]-1H-imidazol-2-one?
The InChIKey is HYIJFEGWNCATPD-HYXAFXHYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-3-5-12-11(4-2)15-13(17)16(12)10-6-8-14-9-7-10/h3-5,10,14H,2,6-9H2,1H3,(H,15,17)/b5-3-.
What are the key properties of 5-ethenyl-3-piperidin-4-yl-4-[(Z)-prop-1-enyl]-1H-imidazol-2-one?
5-ethenyl-3-piperidin-4-yl-4-[(Z)-prop-1-enyl]-1H-imidazol-2-one has a molecular weight of 233.31 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-3-piperidin-4-yl-4-[(Z)-prop-1-enyl]-1H-imidazol-2-one is sourced from PubChem (CID 142817393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).