3-[1,5-bis[(Z)-prop-1-enyl]imidazol-2-yl]piperidine-2,6-dione

C14H17N3O2 — CID 166536427

IUPAC3-[1,5-bis[(Z)-prop-1-enyl]imidazol-2-yl]piperidine-2,6-dione
SMILESC/C=C\c1cnc(C2CCC(=O)NC2=O)n1/C=C\C
InChIInChI=1S/C14H17N3O2/c1-3-5-10-9-15-13(17(10)8-4-2)11-6-7-12(18)16-14(11)19/h3-5,8-9,11H,6-7H2,1-2H3,(H,16,18,19)/b5-3-,8-4-
InChIKeyOJNXLXFUARLOMB-ZWWVTPAXSA-N
MW259.31 g/mol
LogP1.93
Rot. Bonds3

About 3-[1,5-bis[(Z)-prop-1-enyl]imidazol-2-yl]piperidine-2,6-dione

3-[1,5-bis[(Z)-prop-1-enyl]imidazol-2-yl]piperidine-2,6-dione (PubChem CID 166536427) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-[1,5-bis[(Z)-prop-1-enyl]imidazol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[1,5-bis[(Z)-prop-1-enyl]imidazol-2-yl]piperidine-2,6-dione
PubChem CID166536427
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-[1,5-bis[(Z)-prop-1-enyl]imidazol-2-yl]piperidine-2,6-dione
SMILESC/C=C\c1cnc(C2CCC(=O)NC2=O)n1/C=C\C
InChIInChI=1S/C14H17N3O2/c1-3-5-10-9-15-13(17(10)8-4-2)11-6-7-12(18)16-14(11)19/h3-5,8-9,11H,6-7H2,1-2H3,(H,16,18,19)/b5-3-,8-4-
InChIKeyOJNXLXFUARLOMB-ZWWVTPAXSA-N
XLogP1.93
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;3-(5-methylpyrimidin-2-yl)piperidine-2,6-dione
CID 171565294
ethane;3-[5-ethenyl-1-methyl-4-[(Z)-prop-1-enyl]pyrazol-3-yl]piperidine-2,6-dione
CID 167470499
3-(5-aminopyrimidin-2-yl)piperidine-2,6-dione
CID 177240318
3-[4-(1-tert-butylpiperidin-4-yl)phenyl]piperidine-2,6-dione
CID 168735277
(3S)-3-(4-methylphenyl)piperidine-2,6-dione
CID 94766924
3-[4-[(2S)-2-methylpiperazin-1-yl]phenyl]piperidine-2,6-dione
CID 171397543
3-(4-aminophenyl)piperidine-2,6-dione;ethane
CID 177052461
N-[6-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]acetamide
CID 170983752
3-(5-methyl-3-pyridinyl)piperidine-2,6-dione
CID 167474889
3-(6-piperazin-1-yl-3-pyridinyl)piperidine-2,6-dione
CID 166116993
3-[5-oxo-3-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]piperidine-2,6-dione
CID 156712076
3-(4-tert-butylpyrimidin-2-yl)piperidine-2,6-dione
CID 168842408

Frequently Asked Questions

What is the IUPAC name of 3-[1,5-bis[(Z)-prop-1-enyl]imidazol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[1,5-bis[(Z)-prop-1-enyl]imidazol-2-yl]piperidine-2,6-dione (CID 166536427) is 3-[1,5-bis[(Z)-prop-1-enyl]imidazol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[1,5-bis[(Z)-prop-1-enyl]imidazol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[1,5-bis[(Z)-prop-1-enyl]imidazol-2-yl]piperidine-2,6-dione is C/C=C\c1cnc(C2CCC(=O)NC2=O)n1/C=C\C.
What is the InChIKey of 3-[1,5-bis[(Z)-prop-1-enyl]imidazol-2-yl]piperidine-2,6-dione?
The InChIKey is OJNXLXFUARLOMB-ZWWVTPAXSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-5-10-9-15-13(17(10)8-4-2)11-6-7-12(18)16-14(11)19/h3-5,8-9,11H,6-7H2,1-2H3,(H,16,18,19)/b5-3-,8-4-.
What are the key properties of 3-[1,5-bis[(Z)-prop-1-enyl]imidazol-2-yl]piperidine-2,6-dione?
3-[1,5-bis[(Z)-prop-1-enyl]imidazol-2-yl]piperidine-2,6-dione has a molecular weight of 259.31 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1,5-bis[(Z)-prop-1-enyl]imidazol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 166536427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).