1-(4-methyl-2,3-dioxopiperazin-1-yl)propan-2-yl 2-methylprop-2-enoate

C12H18N2O4 — CID 139972996

IUPAC1-(4-methyl-2,3-dioxopiperazin-1-yl)propan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)CN1CCN(C)C(=O)C1=O
InChIInChI=1S/C12H18N2O4/c1-8(2)12(17)18-9(3)7-14-6-5-13(4)10(15)11(14)16/h9H,1,5-7H2,2-4H3
InChIKeySJTPXVVLOCXEEX-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.21
Rot. Bonds4

About 1-(4-methyl-2,3-dioxopiperazin-1-yl)propan-2-yl 2-methylprop-2-enoate

1-(4-methyl-2,3-dioxopiperazin-1-yl)propan-2-yl 2-methylprop-2-enoate (PubChem CID 139972996) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-(4-methyl-2,3-dioxopiperazin-1-yl)propan-2-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-(4-methyl-2,3-dioxopiperazin-1-yl)propan-2-yl 2-methylprop-2-enoate
PubChem CID139972996
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name1-(4-methyl-2,3-dioxopiperazin-1-yl)propan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)CN1CCN(C)C(=O)C1=O
InChIInChI=1S/C12H18N2O4/c1-8(2)12(17)18-9(3)7-14-6-5-13(4)10(15)11(14)16/h9H,1,5-7H2,2-4H3
InChIKeySJTPXVVLOCXEEX-UHFFFAOYSA-N
XLogP-0.21
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methyl-2,3-dioxopiperazin-1-yl)butan-2-yl 2-methylprop-2-enoate
CID 139972910
2-methyl-N-[2-(4-methyl-2,3-dioxopiperazin-1-yl)ethyl]prop-2-enamide
CID 139972941
methyl 2-bromo-3-(4-methyl-2,3-dioxopiperazin-1-yl)propanoate
CID 81100055
[3-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-hydroxypropyl] 2-methylprop-2-enoate
CID 139972981
1-(2-hydroxybutyl)-4-methylpiperazine-2,3-dione
CID 62928789
[(2S,4S)-4-(2-methylprop-2-enoyloxy)pentan-2-yl] 2-methylprop-2-enoate
CID 101184166
1-(2-cyclopentyl-2-hydroxyethyl)-4-methylpiperazine-2,3-dione
CID 113449235
trihydroxy-[2-(2-methylprop-2-enoyloxy)propyl]phosphanium
CID 154142538
1-[2-(2-methylprop-2-enoyloxy)propoxyperoxy]propan-2-yl 2-methylprop-2-enoate
CID 90187084
1-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]propan-2-yl 2-methylprop-2-enoate
CID 19734689
propan-2-yl 2-methylprop-2-enoate
CID 146421311
1-(disulfanyl)propan-2-yl 2-methylprop-2-enoate
CID 174221047

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2,3-dioxopiperazin-1-yl)propan-2-yl 2-methylprop-2-enoate?
The IUPAC name of 1-(4-methyl-2,3-dioxopiperazin-1-yl)propan-2-yl 2-methylprop-2-enoate (CID 139972996) is 1-(4-methyl-2,3-dioxopiperazin-1-yl)propan-2-yl 2-methylprop-2-enoate.
What is the SMILES notation for 1-(4-methyl-2,3-dioxopiperazin-1-yl)propan-2-yl 2-methylprop-2-enoate?
The canonical SMILES for 1-(4-methyl-2,3-dioxopiperazin-1-yl)propan-2-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)CN1CCN(C)C(=O)C1=O.
What is the InChIKey of 1-(4-methyl-2,3-dioxopiperazin-1-yl)propan-2-yl 2-methylprop-2-enoate?
The InChIKey is SJTPXVVLOCXEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-8(2)12(17)18-9(3)7-14-6-5-13(4)10(15)11(14)16/h9H,1,5-7H2,2-4H3.
What are the key properties of 1-(4-methyl-2,3-dioxopiperazin-1-yl)propan-2-yl 2-methylprop-2-enoate?
1-(4-methyl-2,3-dioxopiperazin-1-yl)propan-2-yl 2-methylprop-2-enoate has a molecular weight of 254.29 g/mol, XLogP of -0.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2,3-dioxopiperazin-1-yl)propan-2-yl 2-methylprop-2-enoate is sourced from PubChem (CID 139972996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).