4-[4-ethenyl-5-[(Z)-ethylideneamino]-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde;methanamine

C14H23N5O2 — CID 143218100

IUPAC4-[4-ethenyl-5-[(Z)-ethylideneamino]-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde;methanamine
SMILESC=Cc1c(/N=C\C)[nH]c(=O)n1C1CCN(C=O)CC1.CN
InChIInChI=1S/C13H18N4O2.CH5N/c1-3-11-12(14-4-2)15-13(19)17(11)10-5-7-16(9-18)8-6-10;1-2/h3-4,9-10H,1,5-8H2,2H3,(H,15,19);2H2,1H3/b14-4-;
InChIKeyXZSSINWBTZKKON-CYBPKNTASA-N
MW293.37 g/mol
LogP0.91
Rot. Bonds4

About 4-[4-ethenyl-5-[(Z)-ethylideneamino]-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde;methanamine

4-[4-ethenyl-5-[(Z)-ethylideneamino]-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde;methanamine (PubChem CID 143218100) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-[4-ethenyl-5-[(Z)-ethylideneamino]-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde;methanamine.

Molecular Properties

Compound Name4-[4-ethenyl-5-[(Z)-ethylideneamino]-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde;methanamine
PubChem CID143218100
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name4-[4-ethenyl-5-[(Z)-ethylideneamino]-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde;methanamine
SMILESC=Cc1c(/N=C\C)[nH]c(=O)n1C1CCN(C=O)CC1.CN
InChIInChI=1S/C13H18N4O2.CH5N/c1-3-11-12(14-4-2)15-13(19)17(11)10-5-7-16(9-18)8-6-10;1-2/h3-4,9-10H,1,5-8H2,2H3,(H,15,19);2H2,1H3/b14-4-;
InChIKeyXZSSINWBTZKKON-CYBPKNTASA-N
XLogP0.91
TPSA96.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[4-ethenyl-5-[(Z)-ethylideneamino]-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde
CID 143218101
4-[5-amino-4-[(Z)-but-1-enyl]-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde
CID 142953983
ethane;4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbaldehyde
CID 142441053
4-(8-oxo-9H-purin-7-yl)piperidine-1-carbaldehyde
CID 142952669
5-ethenyl-3-piperidin-4-yl-4-[(Z)-prop-1-enyl]-1H-imidazol-2-one
CID 142817393
ethane;4-(ethenyliminomethyl)-5-methyl-3-(1-methylpiperidin-4-yl)-1H-imidazol-2-one
CID 143293690
4-[5-(4-methoxyphenyl)-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde
CID 22945766
6-(2,3-difluorophenyl)-1-(2,2,2-trifluoroethyl)azepan-2-one;methanamine;4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbaldehyde
CID 143562696
4-[6-(2,2-difluoroethoxy)-2,4-dioxoquinazolin-1-yl]piperidine-1-carbaldehyde
CID 25253349
2-[3-(2,3-difluorophenyl)azepan-1-yl]acetamide;methanamine;4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbaldehyde
CID 143222296
(4E,5E)-5-ethylidene-1-(oxan-4-yl)-4-prop-2-enylideneimidazolidin-2-one
CID 178002454
piperidine-1-carbaldehyde;prop-1-ene
CID 145368604

Frequently Asked Questions

What is the IUPAC name of 4-[4-ethenyl-5-[(Z)-ethylideneamino]-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde;methanamine?
The IUPAC name of 4-[4-ethenyl-5-[(Z)-ethylideneamino]-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde;methanamine (CID 143218100) is 4-[4-ethenyl-5-[(Z)-ethylideneamino]-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde;methanamine.
What is the SMILES notation for 4-[4-ethenyl-5-[(Z)-ethylideneamino]-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde;methanamine?
The canonical SMILES for 4-[4-ethenyl-5-[(Z)-ethylideneamino]-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde;methanamine is C=Cc1c(/N=C\C)[nH]c(=O)n1C1CCN(C=O)CC1.CN.
What is the InChIKey of 4-[4-ethenyl-5-[(Z)-ethylideneamino]-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde;methanamine?
The InChIKey is XZSSINWBTZKKON-CYBPKNTASA-N. The full InChI is InChI=1S/C13H18N4O2.CH5N/c1-3-11-12(14-4-2)15-13(19)17(11)10-5-7-16(9-18)8-6-10;1-2/h3-4,9-10H,1,5-8H2,2H3,(H,15,19);2H2,1H3/b14-4-;.
What are the key properties of 4-[4-ethenyl-5-[(Z)-ethylideneamino]-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde;methanamine?
4-[4-ethenyl-5-[(Z)-ethylideneamino]-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde;methanamine has a molecular weight of 293.37 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-ethenyl-5-[(Z)-ethylideneamino]-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde;methanamine is sourced from PubChem (CID 143218100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).