(2-oxo-2-piperidin-1-ylethyl) (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate

C18H23NO5 — CID 2358327

IUPAC(2-oxo-2-piperidin-1-ylethyl) (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate
SMILESCOc1ccc(OC)c(/C=C/C(=O)OCC(=O)N2CCCCC2)c1
InChIInChI=1S/C18H23NO5/c1-22-15-7-8-16(23-2)14(12-15)6-9-18(21)24-13-17(20)19-10-4-3-5-11-19/h6-9,12H,3-5,10-11,13H2,1-2H3/b9-6+
InChIKeyOGFAUDNOGOVAQV-RMKNXTFCSA-N
MW333.38 g/mol
LogP2.27
Rot. Bonds6

About (2-oxo-2-piperidin-1-ylethyl) (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate

(2-oxo-2-piperidin-1-ylethyl) (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate (PubChem CID 2358327) has the molecular formula C18H23NO5 and a molecular weight of 333.38 g/mol. Its IUPAC name is (2-oxo-2-piperidin-1-ylethyl) (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name(2-oxo-2-piperidin-1-ylethyl) (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate
PubChem CID2358327
Molecular FormulaC18H23NO5
Molecular Weight333.38 g/mol
Exact Mass333.16
IUPAC Name(2-oxo-2-piperidin-1-ylethyl) (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate
SMILESCOc1ccc(OC)c(/C=C/C(=O)OCC(=O)N2CCCCC2)c1
InChIInChI=1S/C18H23NO5/c1-22-15-7-8-16(23-2)14(12-15)6-9-18(21)24-13-17(20)19-10-4-3-5-11-19/h6-9,12H,3-5,10-11,13H2,1-2H3/b9-6+
InChIKeyOGFAUDNOGOVAQV-RMKNXTFCSA-N
XLogP2.27
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-oxo-2-piperidin-1-ylethyl) (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate?
The IUPAC name of (2-oxo-2-piperidin-1-ylethyl) (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate (CID 2358327) is (2-oxo-2-piperidin-1-ylethyl) (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate.
What is the SMILES notation for (2-oxo-2-piperidin-1-ylethyl) (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate?
The canonical SMILES for (2-oxo-2-piperidin-1-ylethyl) (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate is COc1ccc(OC)c(/C=C/C(=O)OCC(=O)N2CCCCC2)c1.
What is the InChIKey of (2-oxo-2-piperidin-1-ylethyl) (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate?
The InChIKey is OGFAUDNOGOVAQV-RMKNXTFCSA-N. The full InChI is InChI=1S/C18H23NO5/c1-22-15-7-8-16(23-2)14(12-15)6-9-18(21)24-13-17(20)19-10-4-3-5-11-19/h6-9,12H,3-5,10-11,13H2,1-2H3/b9-6+.
What are the key properties of (2-oxo-2-piperidin-1-ylethyl) (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate?
(2-oxo-2-piperidin-1-ylethyl) (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate has a molecular weight of 333.38 g/mol, XLogP of 2.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-piperidin-1-ylethyl) (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate is sourced from PubChem (CID 2358327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).