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

C24H28N2O2 — CID 71452341

IUPAC3-methyl-N-phenyl-N-(3-piperidin-1-ylpropyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N(CCCN2CCCCC2)c2ccccc2)oc2ccccc12
InChIInChI=1S/C24H28N2O2/c1-19-21-13-6-7-14-22(21)28-23(19)24(27)26(20-11-4-2-5-12-20)18-10-17-25-15-8-3-9-16-25/h2,4-7,11-14H,3,8-10,15-18H2,1H3
InChIKeyCTMDNCSJPPQMLF-UHFFFAOYSA-N
MW376.50 g/mol
LogP5.26
Rot. Bonds6

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

3-methyl-N-phenyl-N-(3-piperidin-1-ylpropyl)-1-benzofuran-2-carboxamide (PubChem CID 71452341) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 3-methyl-N-phenyl-N-(3-piperidin-1-ylpropyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-phenyl-N-(3-piperidin-1-ylpropyl)-1-benzofuran-2-carboxamide
PubChem CID71452341
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name3-methyl-N-phenyl-N-(3-piperidin-1-ylpropyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N(CCCN2CCCCC2)c2ccccc2)oc2ccccc12
InChIInChI=1S/C24H28N2O2/c1-19-21-13-6-7-14-22(21)28-23(19)24(27)26(20-11-4-2-5-12-20)18-10-17-25-15-8-3-9-16-25/h2,4-7,11-14H,3,8-10,15-18H2,1H3
InChIKeyCTMDNCSJPPQMLF-UHFFFAOYSA-N
XLogP5.26
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-phenyl-N-(3-piperidin-1-ylpropyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-phenyl-N-(3-piperidin-1-ylpropyl)-1-benzofuran-2-carboxamide (CID 71452341) is 3-methyl-N-phenyl-N-(3-piperidin-1-ylpropyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-phenyl-N-(3-piperidin-1-ylpropyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-phenyl-N-(3-piperidin-1-ylpropyl)-1-benzofuran-2-carboxamide is Cc1c(C(=O)N(CCCN2CCCCC2)c2ccccc2)oc2ccccc12.
What is the InChIKey of 3-methyl-N-phenyl-N-(3-piperidin-1-ylpropyl)-1-benzofuran-2-carboxamide?
The InChIKey is CTMDNCSJPPQMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-19-21-13-6-7-14-22(21)28-23(19)24(27)26(20-11-4-2-5-12-20)18-10-17-25-15-8-3-9-16-25/h2,4-7,11-14H,3,8-10,15-18H2,1H3.
What are the key properties of 3-methyl-N-phenyl-N-(3-piperidin-1-ylpropyl)-1-benzofuran-2-carboxamide?
3-methyl-N-phenyl-N-(3-piperidin-1-ylpropyl)-1-benzofuran-2-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 5.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-phenyl-N-(3-piperidin-1-ylpropyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 71452341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).