5,6-dimethoxy-3-methyl-N-phenyl-N-(3-piperidin-1-ylpropyl)-1-benzofuran-2-carboxamide

C26H32N2O4 — CID 71463022

IUPAC5,6-dimethoxy-3-methyl-N-phenyl-N-(3-piperidin-1-ylpropyl)-1-benzofuran-2-carboxamide
SMILESCOc1cc2oc(C(=O)N(CCCN3CCCCC3)c3ccccc3)c(C)c2cc1OC
InChIInChI=1S/C26H32N2O4/c1-19-21-17-23(30-2)24(31-3)18-22(21)32-25(19)26(29)28(20-11-6-4-7-12-20)16-10-15-27-13-8-5-9-14-27/h4,6-7,11-12,17-18H,5,8-10,13-16H2,1-3H3
InChIKeyRQJPWNOKFLOHKI-UHFFFAOYSA-N
MW436.55 g/mol
LogP5.28
Rot. Bonds8

About 5,6-dimethoxy-3-methyl-N-phenyl-N-(3-piperidin-1-ylpropyl)-1-benzofuran-2-carboxamide

5,6-dimethoxy-3-methyl-N-phenyl-N-(3-piperidin-1-ylpropyl)-1-benzofuran-2-carboxamide (PubChem CID 71463022) has the molecular formula C26H32N2O4 and a molecular weight of 436.55 g/mol. Its IUPAC name is 5,6-dimethoxy-3-methyl-N-phenyl-N-(3-piperidin-1-ylpropyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5,6-dimethoxy-3-methyl-N-phenyl-N-(3-piperidin-1-ylpropyl)-1-benzofuran-2-carboxamide
PubChem CID71463022
Molecular FormulaC26H32N2O4
Molecular Weight436.55 g/mol
Exact Mass436.24
IUPAC Name5,6-dimethoxy-3-methyl-N-phenyl-N-(3-piperidin-1-ylpropyl)-1-benzofuran-2-carboxamide
SMILESCOc1cc2oc(C(=O)N(CCCN3CCCCC3)c3ccccc3)c(C)c2cc1OC
InChIInChI=1S/C26H32N2O4/c1-19-21-17-23(30-2)24(31-3)18-22(21)32-25(19)26(29)28(20-11-6-4-7-12-20)16-10-15-27-13-8-5-9-14-27/h4,6-7,11-12,17-18H,5,8-10,13-16H2,1-3H3
InChIKeyRQJPWNOKFLOHKI-UHFFFAOYSA-N
XLogP5.28
TPSA55.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.55
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-3-methyl-N-phenyl-N-(3-piperidin-1-ylpropyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5,6-dimethoxy-3-methyl-N-phenyl-N-(3-piperidin-1-ylpropyl)-1-benzofuran-2-carboxamide (CID 71463022) is 5,6-dimethoxy-3-methyl-N-phenyl-N-(3-piperidin-1-ylpropyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5,6-dimethoxy-3-methyl-N-phenyl-N-(3-piperidin-1-ylpropyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5,6-dimethoxy-3-methyl-N-phenyl-N-(3-piperidin-1-ylpropyl)-1-benzofuran-2-carboxamide is COc1cc2oc(C(=O)N(CCCN3CCCCC3)c3ccccc3)c(C)c2cc1OC.
What is the InChIKey of 5,6-dimethoxy-3-methyl-N-phenyl-N-(3-piperidin-1-ylpropyl)-1-benzofuran-2-carboxamide?
The InChIKey is RQJPWNOKFLOHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O4/c1-19-21-17-23(30-2)24(31-3)18-22(21)32-25(19)26(29)28(20-11-6-4-7-12-20)16-10-15-27-13-8-5-9-14-27/h4,6-7,11-12,17-18H,5,8-10,13-16H2,1-3H3.
What are the key properties of 5,6-dimethoxy-3-methyl-N-phenyl-N-(3-piperidin-1-ylpropyl)-1-benzofuran-2-carboxamide?
5,6-dimethoxy-3-methyl-N-phenyl-N-(3-piperidin-1-ylpropyl)-1-benzofuran-2-carboxamide has a molecular weight of 436.55 g/mol, XLogP of 5.28, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-3-methyl-N-phenyl-N-(3-piperidin-1-ylpropyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 71463022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).