4-[5-amino-4-[(Z)-but-1-enyl]-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde

C13H20N4O2 — CID 142953983

IUPAC4-[5-amino-4-[(Z)-but-1-enyl]-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde
SMILESCC/C=C\c1c(N)[nH]c(=O)n1C1CCN(C=O)CC1
InChIInChI=1S/C13H20N4O2/c1-2-3-4-11-12(14)15-13(19)17(11)10-5-7-16(9-18)8-6-10/h3-4,9-10H,2,5-8,14H2,1H3,(H,15,19)/b4-3-
InChIKeyCSBNKNAEAVEVBK-ARJAWSKDSA-N
MW264.33 g/mol
LogP0.98
Rot. Bonds4

About 4-[5-amino-4-[(Z)-but-1-enyl]-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde

4-[5-amino-4-[(Z)-but-1-enyl]-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde (PubChem CID 142953983) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-[5-amino-4-[(Z)-but-1-enyl]-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde.

Molecular Properties

Compound Name4-[5-amino-4-[(Z)-but-1-enyl]-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde
PubChem CID142953983
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name4-[5-amino-4-[(Z)-but-1-enyl]-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde
SMILESCC/C=C\c1c(N)[nH]c(=O)n1C1CCN(C=O)CC1
InChIInChI=1S/C13H20N4O2/c1-2-3-4-11-12(14)15-13(19)17(11)10-5-7-16(9-18)8-6-10/h3-4,9-10H,2,5-8,14H2,1H3,(H,15,19)/b4-3-
InChIKeyCSBNKNAEAVEVBK-ARJAWSKDSA-N
XLogP0.98
TPSA84.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[4-ethenyl-5-[(Z)-ethylideneamino]-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde;methanamine
CID 143218100
4-[4-ethenyl-5-[(Z)-ethylideneamino]-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde
CID 143218101
4-(8-oxo-9H-purin-7-yl)piperidine-1-carbaldehyde
CID 142952669
ethane;4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbaldehyde
CID 142441053
4-(4-ethylpiperazin-1-yl)piperidine-1-carbaldehyde
CID 138683529
4-[5-(4-methoxyphenyl)-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde
CID 22945766
4-[6-(2,2-difluoroethoxy)-2,4-dioxoquinazolin-1-yl]piperidine-1-carbaldehyde
CID 25253349
4-[(Z)-but-2-enyl]-3-cyclopropyl-5-methyl-1H-imidazol-2-one
CID 143435886
4-propan-2-ylpiperidine-1-carbaldehyde
CID 45083861
5-amino-4-[(1Z)-buta-1,3-dienyl]-3-[1-[2-[5-[3-chloro-5-(1,2-dimethylimidazol-4-yl)phenyl]-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-1H-imidazol-2-one
CID 89219999
3-[1-[(2-methylcyclopropyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968394
5-ethenyl-3-piperidin-4-yl-4-[(Z)-prop-1-enyl]-1H-imidazol-2-one
CID 142817393

Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-4-[(Z)-but-1-enyl]-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde?
The IUPAC name of 4-[5-amino-4-[(Z)-but-1-enyl]-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde (CID 142953983) is 4-[5-amino-4-[(Z)-but-1-enyl]-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde.
What is the SMILES notation for 4-[5-amino-4-[(Z)-but-1-enyl]-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde?
The canonical SMILES for 4-[5-amino-4-[(Z)-but-1-enyl]-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde is CC/C=C\c1c(N)[nH]c(=O)n1C1CCN(C=O)CC1.
What is the InChIKey of 4-[5-amino-4-[(Z)-but-1-enyl]-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde?
The InChIKey is CSBNKNAEAVEVBK-ARJAWSKDSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-2-3-4-11-12(14)15-13(19)17(11)10-5-7-16(9-18)8-6-10/h3-4,9-10H,2,5-8,14H2,1H3,(H,15,19)/b4-3-.
What are the key properties of 4-[5-amino-4-[(Z)-but-1-enyl]-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde?
4-[5-amino-4-[(Z)-but-1-enyl]-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde has a molecular weight of 264.33 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-amino-4-[(Z)-but-1-enyl]-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde is sourced from PubChem (CID 142953983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).