(2Z)-2-benzylidene-4,6-dimethoxy-7-(1-methylpiperidin-4-yl)-1-benzofuran-3-one

C23H25NO4 — CID 134815275

IUPAC(2Z)-2-benzylidene-4,6-dimethoxy-7-(1-methylpiperidin-4-yl)-1-benzofuran-3-one
SMILESCOc1cc(OC)c(C2CCN(C)CC2)c2c1C(=O)/C(=C/c1ccccc1)O2
InChIInChI=1S/C23H25NO4/c1-24-11-9-16(10-12-24)20-17(26-2)14-18(27-3)21-22(25)19(28-23(20)21)13-15-7-5-4-6-8-15/h4-8,13-14,16H,9-12H2,1-3H3/b19-13-
InChIKeyCKWFKJIAUGLRJD-UYRXBGFRSA-N
MW379.46 g/mol
LogP4.13
Rot. Bonds4

About (2Z)-2-benzylidene-4,6-dimethoxy-7-(1-methylpiperidin-4-yl)-1-benzofuran-3-one

(2Z)-2-benzylidene-4,6-dimethoxy-7-(1-methylpiperidin-4-yl)-1-benzofuran-3-one (PubChem CID 134815275) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is (2Z)-2-benzylidene-4,6-dimethoxy-7-(1-methylpiperidin-4-yl)-1-benzofuran-3-one.

Molecular Properties

Compound Name(2Z)-2-benzylidene-4,6-dimethoxy-7-(1-methylpiperidin-4-yl)-1-benzofuran-3-one
PubChem CID134815275
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Name(2Z)-2-benzylidene-4,6-dimethoxy-7-(1-methylpiperidin-4-yl)-1-benzofuran-3-one
SMILESCOc1cc(OC)c(C2CCN(C)CC2)c2c1C(=O)/C(=C/c1ccccc1)O2
InChIInChI=1S/C23H25NO4/c1-24-11-9-16(10-12-24)20-17(26-2)14-18(27-3)21-22(25)19(28-23(20)21)13-15-7-5-4-6-8-15/h4-8,13-14,16H,9-12H2,1-3H3/b19-13-
InChIKeyCKWFKJIAUGLRJD-UYRXBGFRSA-N
XLogP4.13
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.13
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 (2Z)-2-benzylidene-4,6-dimethoxy-7-(1-methylpiperidin-4-yl)-1-benzofuran-3-one?
The IUPAC name of (2Z)-2-benzylidene-4,6-dimethoxy-7-(1-methylpiperidin-4-yl)-1-benzofuran-3-one (CID 134815275) is (2Z)-2-benzylidene-4,6-dimethoxy-7-(1-methylpiperidin-4-yl)-1-benzofuran-3-one.
What is the SMILES notation for (2Z)-2-benzylidene-4,6-dimethoxy-7-(1-methylpiperidin-4-yl)-1-benzofuran-3-one?
The canonical SMILES for (2Z)-2-benzylidene-4,6-dimethoxy-7-(1-methylpiperidin-4-yl)-1-benzofuran-3-one is COc1cc(OC)c(C2CCN(C)CC2)c2c1C(=O)/C(=C/c1ccccc1)O2.
What is the InChIKey of (2Z)-2-benzylidene-4,6-dimethoxy-7-(1-methylpiperidin-4-yl)-1-benzofuran-3-one?
The InChIKey is CKWFKJIAUGLRJD-UYRXBGFRSA-N. The full InChI is InChI=1S/C23H25NO4/c1-24-11-9-16(10-12-24)20-17(26-2)14-18(27-3)21-22(25)19(28-23(20)21)13-15-7-5-4-6-8-15/h4-8,13-14,16H,9-12H2,1-3H3/b19-13-.
What are the key properties of (2Z)-2-benzylidene-4,6-dimethoxy-7-(1-methylpiperidin-4-yl)-1-benzofuran-3-one?
(2Z)-2-benzylidene-4,6-dimethoxy-7-(1-methylpiperidin-4-yl)-1-benzofuran-3-one has a molecular weight of 379.46 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-benzylidene-4,6-dimethoxy-7-(1-methylpiperidin-4-yl)-1-benzofuran-3-one is sourced from PubChem (CID 134815275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).