3-methyl-N-(1-piperidin-1-ylpropan-2-yl)-1-benzofuran-2-carboxamide

C18H24N2O2 — CID 2970485

IUPAC3-methyl-N-(1-piperidin-1-ylpropan-2-yl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC(C)CN2CCCCC2)oc2ccccc12
InChIInChI=1S/C18H24N2O2/c1-13(12-20-10-6-3-7-11-20)19-18(21)17-14(2)15-8-4-5-9-16(15)22-17/h4-5,8-9,13H,3,6-7,10-12H2,1-2H3,(H,19,21)
InChIKeyZDNBJOPPYUAJRS-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.35
Rot. Bonds4

About 3-methyl-N-(1-piperidin-1-ylpropan-2-yl)-1-benzofuran-2-carboxamide

3-methyl-N-(1-piperidin-1-ylpropan-2-yl)-1-benzofuran-2-carboxamide (PubChem CID 2970485) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 3-methyl-N-(1-piperidin-1-ylpropan-2-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(1-piperidin-1-ylpropan-2-yl)-1-benzofuran-2-carboxamide
PubChem CID2970485
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name3-methyl-N-(1-piperidin-1-ylpropan-2-yl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC(C)CN2CCCCC2)oc2ccccc12
InChIInChI=1S/C18H24N2O2/c1-13(12-20-10-6-3-7-11-20)19-18(21)17-14(2)15-8-4-5-9-16(15)22-17/h4-5,8-9,13H,3,6-7,10-12H2,1-2H3,(H,19,21)
InChIKeyZDNBJOPPYUAJRS-UHFFFAOYSA-N
XLogP3.35
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-N-(1-piperidin-1-ylpropan-2-yl)-1-benzofuran-2-carboxamide 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 3-methyl-N-(1-piperidin-1-ylpropan-2-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-(1-piperidin-1-ylpropan-2-yl)-1-benzofuran-2-carboxamide (CID 2970485) is 3-methyl-N-(1-piperidin-1-ylpropan-2-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(1-piperidin-1-ylpropan-2-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-(1-piperidin-1-ylpropan-2-yl)-1-benzofuran-2-carboxamide is Cc1c(C(=O)NC(C)CN2CCCCC2)oc2ccccc12.
What is the InChIKey of 3-methyl-N-(1-piperidin-1-ylpropan-2-yl)-1-benzofuran-2-carboxamide?
The InChIKey is ZDNBJOPPYUAJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-13(12-20-10-6-3-7-11-20)19-18(21)17-14(2)15-8-4-5-9-16(15)22-17/h4-5,8-9,13H,3,6-7,10-12H2,1-2H3,(H,19,21).
What are the key properties of 3-methyl-N-(1-piperidin-1-ylpropan-2-yl)-1-benzofuran-2-carboxamide?
3-methyl-N-(1-piperidin-1-ylpropan-2-yl)-1-benzofuran-2-carboxamide has a molecular weight of 300.40 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1-piperidin-1-ylpropan-2-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2970485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).