5,6-bis(ethenyl)-4-[2-oxo-2-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]ethyl]-1,3-dihydropyrazin-2-one

C20H27N5O3 — CID 144720366

IUPAC5,6-bis(ethenyl)-4-[2-oxo-2-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]ethyl]-1,3-dihydropyrazin-2-one
SMILESC=CC(=O)N1CC(N2CCN(C(=O)CN3CC(=O)NC(C=C)=C3C=C)CC2)C1
InChIInChI=1S/C20H27N5O3/c1-4-16-17(5-2)24(13-18(26)21-16)14-20(28)23-9-7-22(8-10-23)15-11-25(12-15)19(27)6-3/h4-6,15H,1-3,7-14H2,(H,21,26)
InChIKeyATPMSERZENDCFO-UHFFFAOYSA-N
MW385.47 g/mol
LogP-0.46
Rot. Bonds6

About 5,6-bis(ethenyl)-4-[2-oxo-2-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]ethyl]-1,3-dihydropyrazin-2-one

5,6-bis(ethenyl)-4-[2-oxo-2-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]ethyl]-1,3-dihydropyrazin-2-one (PubChem CID 144720366) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is 5,6-bis(ethenyl)-4-[2-oxo-2-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]ethyl]-1,3-dihydropyrazin-2-one.

Molecular Properties

Compound Name5,6-bis(ethenyl)-4-[2-oxo-2-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]ethyl]-1,3-dihydropyrazin-2-one
PubChem CID144720366
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC Name5,6-bis(ethenyl)-4-[2-oxo-2-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]ethyl]-1,3-dihydropyrazin-2-one
SMILESC=CC(=O)N1CC(N2CCN(C(=O)CN3CC(=O)NC(C=C)=C3C=C)CC2)C1
InChIInChI=1S/C20H27N5O3/c1-4-16-17(5-2)24(13-18(26)21-16)14-20(28)23-9-7-22(8-10-23)15-11-25(12-15)19(27)6-3/h4-6,15H,1-3,7-14H2,(H,21,26)
InChIKeyATPMSERZENDCFO-UHFFFAOYSA-N
XLogP-0.46
TPSA76.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

6-chloro-4-[3-oxo-3-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propyl]-1,3-dihydrobenzimidazol-2-one
CID 160877357
1-[3-[4-[2-[4,5-dichloro-2-(2,2,2-trifluoroethylamino)anilino]acetyl]piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one
CID 135341122
1-[3-[4-[2-(4-chloro-5-ethyl-2-methoxyphenyl)sulfanylacetyl]piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one
CID 123186870
3-(6-cyclopropyl-1H-benzimidazol-4-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one
CID 158225637
3-hydroxy-2-[[2-oxo-2-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]ethyl]amino]naphthalene-1-carbaldehyde
CID 155208711
1-[3-[4-[2-(4-chloro-2-hydroxy-5-methylanilino)acetyl]piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one
CID 86279885
1-[3-[4-[2-[(5-chloro-1H-indazol-7-yl)amino]acetyl]piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one
CID 135341810
1-[3-[4-[2-[4-chloro-2-hydroxy-5-(2,2,2-trifluoroethyl)anilino]acetyl]piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one
CID 90460824
1-(4-cyclobutylpiperazin-1-yl)prop-2-en-1-one
CID 130842439
1-[(3S)-3-(azetidin-1-yl)pyrrolidin-1-yl]prop-2-en-1-one
CID 177022778
5-chloro-4-cyclopropyl-2-[3-oxo-3-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propyl]benzonitrile
CID 140721347
1-[3-[4-[2-[4-chloro-2-hydroxy-5-(1-methylcyclopropyl)anilino]acetyl]piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one
CID 86279165

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(ethenyl)-4-[2-oxo-2-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]ethyl]-1,3-dihydropyrazin-2-one?
The IUPAC name of 5,6-bis(ethenyl)-4-[2-oxo-2-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]ethyl]-1,3-dihydropyrazin-2-one (CID 144720366) is 5,6-bis(ethenyl)-4-[2-oxo-2-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]ethyl]-1,3-dihydropyrazin-2-one.
What is the SMILES notation for 5,6-bis(ethenyl)-4-[2-oxo-2-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]ethyl]-1,3-dihydropyrazin-2-one?
The canonical SMILES for 5,6-bis(ethenyl)-4-[2-oxo-2-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]ethyl]-1,3-dihydropyrazin-2-one is C=CC(=O)N1CC(N2CCN(C(=O)CN3CC(=O)NC(C=C)=C3C=C)CC2)C1.
What is the InChIKey of 5,6-bis(ethenyl)-4-[2-oxo-2-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]ethyl]-1,3-dihydropyrazin-2-one?
The InChIKey is ATPMSERZENDCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-4-16-17(5-2)24(13-18(26)21-16)14-20(28)23-9-7-22(8-10-23)15-11-25(12-15)19(27)6-3/h4-6,15H,1-3,7-14H2,(H,21,26).
What are the key properties of 5,6-bis(ethenyl)-4-[2-oxo-2-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]ethyl]-1,3-dihydropyrazin-2-one?
5,6-bis(ethenyl)-4-[2-oxo-2-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]ethyl]-1,3-dihydropyrazin-2-one has a molecular weight of 385.47 g/mol, XLogP of -0.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(ethenyl)-4-[2-oxo-2-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]ethyl]-1,3-dihydropyrazin-2-one is sourced from PubChem (CID 144720366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).