N-(1-benzylpiperidin-4-yl)-2,2-dimethyl-3H-1-benzofuran-7-carboxamide

C23H28N2O2 — CID 2738398

IUPACN-(1-benzylpiperidin-4-yl)-2,2-dimethyl-3H-1-benzofuran-7-carboxamide
SMILESCC1(C)Cc2cccc(C(=O)NC3CCN(Cc4ccccc4)CC3)c2O1
InChIInChI=1S/C23H28N2O2/c1-23(2)15-18-9-6-10-20(21(18)27-23)22(26)24-19-11-13-25(14-12-19)16-17-7-4-3-5-8-17/h3-10,19H,11-16H2,1-2H3,(H,24,26)
InChIKeyPIXSROUTWPTRIJ-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.79
Rot. Bonds4

About N-(1-benzylpiperidin-4-yl)-2,2-dimethyl-3H-1-benzofuran-7-carboxamide

N-(1-benzylpiperidin-4-yl)-2,2-dimethyl-3H-1-benzofuran-7-carboxamide (PubChem CID 2738398) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2,2-dimethyl-3H-1-benzofuran-7-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2,2-dimethyl-3H-1-benzofuran-7-carboxamide
PubChem CID2738398
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC NameN-(1-benzylpiperidin-4-yl)-2,2-dimethyl-3H-1-benzofuran-7-carboxamide
SMILESCC1(C)Cc2cccc(C(=O)NC3CCN(Cc4ccccc4)CC3)c2O1
InChIInChI=1S/C23H28N2O2/c1-23(2)15-18-9-6-10-20(21(18)27-23)22(26)24-19-11-13-25(14-12-19)16-17-7-4-3-5-8-17/h3-10,19H,11-16H2,1-2H3,(H,24,26)
InChIKeyPIXSROUTWPTRIJ-UHFFFAOYSA-N
XLogP3.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2,2-dimethyl-3H-1-benzofuran-7-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2,2-dimethyl-3H-1-benzofuran-7-carboxamide (CID 2738398) is N-(1-benzylpiperidin-4-yl)-2,2-dimethyl-3H-1-benzofuran-7-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2,2-dimethyl-3H-1-benzofuran-7-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2,2-dimethyl-3H-1-benzofuran-7-carboxamide is CC1(C)Cc2cccc(C(=O)NC3CCN(Cc4ccccc4)CC3)c2O1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2,2-dimethyl-3H-1-benzofuran-7-carboxamide?
The InChIKey is PIXSROUTWPTRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-23(2)15-18-9-6-10-20(21(18)27-23)22(26)24-19-11-13-25(14-12-19)16-17-7-4-3-5-8-17/h3-10,19H,11-16H2,1-2H3,(H,24,26).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2,2-dimethyl-3H-1-benzofuran-7-carboxamide?
N-(1-benzylpiperidin-4-yl)-2,2-dimethyl-3H-1-benzofuran-7-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2,2-dimethyl-3H-1-benzofuran-7-carboxamide is sourced from PubChem (CID 2738398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).