6-methoxy-3-methyl-N-phenyl-N-(3-piperidin-1-ylpropyl)-1-benzofuran-2-carboxamide

C25H30N2O3 — CID 71459553

IUPAC6-methoxy-3-methyl-N-phenyl-N-(3-piperidin-1-ylpropyl)-1-benzofuran-2-carboxamide
SMILESCOc1ccc2c(C)c(C(=O)N(CCCN3CCCCC3)c3ccccc3)oc2c1
InChIInChI=1S/C25H30N2O3/c1-19-22-13-12-21(29-2)18-23(22)30-24(19)25(28)27(20-10-5-3-6-11-20)17-9-16-26-14-7-4-8-15-26/h3,5-6,10-13,18H,4,7-9,14-17H2,1-2H3
InChIKeyUGKUXKJKFRZEQP-UHFFFAOYSA-N
MW406.53 g/mol
LogP5.27
Rot. Bonds7

About 6-methoxy-3-methyl-N-phenyl-N-(3-piperidin-1-ylpropyl)-1-benzofuran-2-carboxamide

6-methoxy-3-methyl-N-phenyl-N-(3-piperidin-1-ylpropyl)-1-benzofuran-2-carboxamide (PubChem CID 71459553) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is 6-methoxy-3-methyl-N-phenyl-N-(3-piperidin-1-ylpropyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name6-methoxy-3-methyl-N-phenyl-N-(3-piperidin-1-ylpropyl)-1-benzofuran-2-carboxamide
PubChem CID71459553
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC Name6-methoxy-3-methyl-N-phenyl-N-(3-piperidin-1-ylpropyl)-1-benzofuran-2-carboxamide
SMILESCOc1ccc2c(C)c(C(=O)N(CCCN3CCCCC3)c3ccccc3)oc2c1
InChIInChI=1S/C25H30N2O3/c1-19-22-13-12-21(29-2)18-23(22)30-24(19)25(28)27(20-10-5-3-6-11-20)17-9-16-26-14-7-4-8-15-26/h3,5-6,10-13,18H,4,7-9,14-17H2,1-2H3
InChIKeyUGKUXKJKFRZEQP-UHFFFAOYSA-N
XLogP5.27
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-methyl-N-phenyl-N-(3-piperidin-1-ylpropyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 6-methoxy-3-methyl-N-phenyl-N-(3-piperidin-1-ylpropyl)-1-benzofuran-2-carboxamide (CID 71459553) is 6-methoxy-3-methyl-N-phenyl-N-(3-piperidin-1-ylpropyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 6-methoxy-3-methyl-N-phenyl-N-(3-piperidin-1-ylpropyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 6-methoxy-3-methyl-N-phenyl-N-(3-piperidin-1-ylpropyl)-1-benzofuran-2-carboxamide is COc1ccc2c(C)c(C(=O)N(CCCN3CCCCC3)c3ccccc3)oc2c1.
What is the InChIKey of 6-methoxy-3-methyl-N-phenyl-N-(3-piperidin-1-ylpropyl)-1-benzofuran-2-carboxamide?
The InChIKey is UGKUXKJKFRZEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3/c1-19-22-13-12-21(29-2)18-23(22)30-24(19)25(28)27(20-10-5-3-6-11-20)17-9-16-26-14-7-4-8-15-26/h3,5-6,10-13,18H,4,7-9,14-17H2,1-2H3.
What are the key properties of 6-methoxy-3-methyl-N-phenyl-N-(3-piperidin-1-ylpropyl)-1-benzofuran-2-carboxamide?
6-methoxy-3-methyl-N-phenyl-N-(3-piperidin-1-ylpropyl)-1-benzofuran-2-carboxamide has a molecular weight of 406.53 g/mol, XLogP of 5.27, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-methyl-N-phenyl-N-(3-piperidin-1-ylpropyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 71459553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).