N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1-benzofuran-2-carboxamide

C23H26N2O3 — CID 4883248

IUPACN-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1-benzofuran-2-carboxamide
SMILESCOc1ccc(C(CNC(=O)c2cc3ccccc3o2)N2CCCCC2)cc1
InChIInChI=1S/C23H26N2O3/c1-27-19-11-9-17(10-12-19)20(25-13-5-2-6-14-25)16-24-23(26)22-15-18-7-3-4-8-21(18)28-22/h3-4,7-12,15,20H,2,5-6,13-14,16H2,1H3,(H,24,26)
InChIKeyVESPHOAVJYZIDP-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.40
Rot. Bonds6

About N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1-benzofuran-2-carboxamide

N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1-benzofuran-2-carboxamide (PubChem CID 4883248) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1-benzofuran-2-carboxamide
PubChem CID4883248
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC NameN-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1-benzofuran-2-carboxamide
SMILESCOc1ccc(C(CNC(=O)c2cc3ccccc3o2)N2CCCCC2)cc1
InChIInChI=1S/C23H26N2O3/c1-27-19-11-9-17(10-12-19)20(25-13-5-2-6-14-25)16-24-23(26)22-15-18-7-3-4-8-21(18)28-22/h3-4,7-12,15,20H,2,5-6,13-14,16H2,1H3,(H,24,26)
InChIKeyVESPHOAVJYZIDP-UHFFFAOYSA-N
XLogP4.40
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1-benzofuran-2-carboxamide (CID 4883248) is N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1-benzofuran-2-carboxamide is COc1ccc(C(CNC(=O)c2cc3ccccc3o2)N2CCCCC2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1-benzofuran-2-carboxamide?
The InChIKey is VESPHOAVJYZIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-27-19-11-9-17(10-12-19)20(25-13-5-2-6-14-25)16-24-23(26)22-15-18-7-3-4-8-21(18)28-22/h3-4,7-12,15,20H,2,5-6,13-14,16H2,1H3,(H,24,26).
What are the key properties of N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1-benzofuran-2-carboxamide?
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1-benzofuran-2-carboxamide has a molecular weight of 378.47 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 4883248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).