[2-methyl-2-(1-prop-2-enoylpiperidin-4-yl)propyl] prop-2-enoate

C15H23NO3 — CID 134446279

IUPAC[2-methyl-2-(1-prop-2-enoylpiperidin-4-yl)propyl] prop-2-enoate
SMILESC=CC(=O)OCC(C)(C)C1CCN(C(=O)C=C)CC1
InChIInChI=1S/C15H23NO3/c1-5-13(17)16-9-7-12(8-10-16)15(3,4)11-19-14(18)6-2/h5-6,12H,1-2,7-11H2,3-4H3
InChIKeyXEOCUKAAKHGQSP-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.17
Rot. Bonds5

About [2-methyl-2-(1-prop-2-enoylpiperidin-4-yl)propyl] prop-2-enoate

[2-methyl-2-(1-prop-2-enoylpiperidin-4-yl)propyl] prop-2-enoate (PubChem CID 134446279) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is [2-methyl-2-(1-prop-2-enoylpiperidin-4-yl)propyl] prop-2-enoate.

Molecular Properties

Compound Name[2-methyl-2-(1-prop-2-enoylpiperidin-4-yl)propyl] prop-2-enoate
PubChem CID134446279
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name[2-methyl-2-(1-prop-2-enoylpiperidin-4-yl)propyl] prop-2-enoate
SMILESC=CC(=O)OCC(C)(C)C1CCN(C(=O)C=C)CC1
InChIInChI=1S/C15H23NO3/c1-5-13(17)16-9-7-12(8-10-16)15(3,4)11-19-14(18)6-2/h5-6,12H,1-2,7-11H2,3-4H3
InChIKeyXEOCUKAAKHGQSP-UHFFFAOYSA-N
XLogP2.17
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-2-(1-prop-2-enoylpiperidin-4-yl)propyl] prop-2-enoate?
The IUPAC name of [2-methyl-2-(1-prop-2-enoylpiperidin-4-yl)propyl] prop-2-enoate (CID 134446279) is [2-methyl-2-(1-prop-2-enoylpiperidin-4-yl)propyl] prop-2-enoate.
What is the SMILES notation for [2-methyl-2-(1-prop-2-enoylpiperidin-4-yl)propyl] prop-2-enoate?
The canonical SMILES for [2-methyl-2-(1-prop-2-enoylpiperidin-4-yl)propyl] prop-2-enoate is C=CC(=O)OCC(C)(C)C1CCN(C(=O)C=C)CC1.
What is the InChIKey of [2-methyl-2-(1-prop-2-enoylpiperidin-4-yl)propyl] prop-2-enoate?
The InChIKey is XEOCUKAAKHGQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-13(17)16-9-7-12(8-10-16)15(3,4)11-19-14(18)6-2/h5-6,12H,1-2,7-11H2,3-4H3.
What are the key properties of [2-methyl-2-(1-prop-2-enoylpiperidin-4-yl)propyl] prop-2-enoate?
[2-methyl-2-(1-prop-2-enoylpiperidin-4-yl)propyl] prop-2-enoate has a molecular weight of 265.35 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-2-(1-prop-2-enoylpiperidin-4-yl)propyl] prop-2-enoate is sourced from PubChem (CID 134446279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).