(E)-1-(3-methyl-4-piperidin-4-yloxy-1-benzofuran-2-yl)-3-phenylprop-2-en-1-one

C23H23NO3 — CID 71462402

IUPAC(E)-1-(3-methyl-4-piperidin-4-yloxy-1-benzofuran-2-yl)-3-phenylprop-2-en-1-one
SMILESCc1c(C(=O)/C=C/c2ccccc2)oc2cccc(OC3CCNCC3)c12
InChIInChI=1S/C23H23NO3/c1-16-22-20(26-18-12-14-24-15-13-18)8-5-9-21(22)27-23(16)19(25)11-10-17-6-3-2-4-7-17/h2-11,18,24H,12-15H2,1H3/b11-10+
InChIKeyKBIFWZQIMFMMRS-ZHACJKMWSA-N
MW361.44 g/mol
LogP4.77
Rot. Bonds5

About (E)-1-(3-methyl-4-piperidin-4-yloxy-1-benzofuran-2-yl)-3-phenylprop-2-en-1-one

(E)-1-(3-methyl-4-piperidin-4-yloxy-1-benzofuran-2-yl)-3-phenylprop-2-en-1-one (PubChem CID 71462402) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is (E)-1-(3-methyl-4-piperidin-4-yloxy-1-benzofuran-2-yl)-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(3-methyl-4-piperidin-4-yloxy-1-benzofuran-2-yl)-3-phenylprop-2-en-1-one
PubChem CID71462402
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC Name(E)-1-(3-methyl-4-piperidin-4-yloxy-1-benzofuran-2-yl)-3-phenylprop-2-en-1-one
SMILESCc1c(C(=O)/C=C/c2ccccc2)oc2cccc(OC3CCNCC3)c12
InChIInChI=1S/C23H23NO3/c1-16-22-20(26-18-12-14-24-15-13-18)8-5-9-21(22)27-23(16)19(25)11-10-17-6-3-2-4-7-17/h2-11,18,24H,12-15H2,1H3/b11-10+
InChIKeyKBIFWZQIMFMMRS-ZHACJKMWSA-N
XLogP4.77
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-1-(3-methyl-4-piperidin-4-yloxy-1-benzofuran-2-yl)-3-phenylprop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-1-(3-methyl-4-piperidin-4-yloxy-1-benzofuran-2-yl)-3-phenylprop-2-en-1-one?
The IUPAC name of (E)-1-(3-methyl-4-piperidin-4-yloxy-1-benzofuran-2-yl)-3-phenylprop-2-en-1-one (CID 71462402) is (E)-1-(3-methyl-4-piperidin-4-yloxy-1-benzofuran-2-yl)-3-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(3-methyl-4-piperidin-4-yloxy-1-benzofuran-2-yl)-3-phenylprop-2-en-1-one?
The canonical SMILES for (E)-1-(3-methyl-4-piperidin-4-yloxy-1-benzofuran-2-yl)-3-phenylprop-2-en-1-one is Cc1c(C(=O)/C=C/c2ccccc2)oc2cccc(OC3CCNCC3)c12.
What is the InChIKey of (E)-1-(3-methyl-4-piperidin-4-yloxy-1-benzofuran-2-yl)-3-phenylprop-2-en-1-one?
The InChIKey is KBIFWZQIMFMMRS-ZHACJKMWSA-N. The full InChI is InChI=1S/C23H23NO3/c1-16-22-20(26-18-12-14-24-15-13-18)8-5-9-21(22)27-23(16)19(25)11-10-17-6-3-2-4-7-17/h2-11,18,24H,12-15H2,1H3/b11-10+.
What are the key properties of (E)-1-(3-methyl-4-piperidin-4-yloxy-1-benzofuran-2-yl)-3-phenylprop-2-en-1-one?
(E)-1-(3-methyl-4-piperidin-4-yloxy-1-benzofuran-2-yl)-3-phenylprop-2-en-1-one has a molecular weight of 361.44 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3-methyl-4-piperidin-4-yloxy-1-benzofuran-2-yl)-3-phenylprop-2-en-1-one is sourced from PubChem (CID 71462402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).