N-[[5-(furan-3-yl)-1-benzofuran-7-yl]methyl]-2-phenylpiperidin-3-amine

C24H24N2O2 — CID 21220897

IUPACN-[[5-(furan-3-yl)-1-benzofuran-7-yl]methyl]-2-phenylpiperidin-3-amine
SMILESc1ccc(C2NCCCC2NCc2cc(-c3ccoc3)cc3ccoc23)cc1
InChIInChI=1S/C24H24N2O2/c1-2-5-17(6-3-1)23-22(7-4-10-25-23)26-15-21-14-20(19-8-11-27-16-19)13-18-9-12-28-24(18)21/h1-3,5-6,8-9,11-14,16,22-23,25-26H,4,7,10,15H2
InChIKeySGWJBBKCLQMVFT-UHFFFAOYSA-N
MW372.47 g/mol
LogP5.28
Rot. Bonds5

About N-[[5-(furan-3-yl)-1-benzofuran-7-yl]methyl]-2-phenylpiperidin-3-amine

N-[[5-(furan-3-yl)-1-benzofuran-7-yl]methyl]-2-phenylpiperidin-3-amine (PubChem CID 21220897) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[[5-(furan-3-yl)-1-benzofuran-7-yl]methyl]-2-phenylpiperidin-3-amine.

Molecular Properties

Compound NameN-[[5-(furan-3-yl)-1-benzofuran-7-yl]methyl]-2-phenylpiperidin-3-amine
PubChem CID21220897
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC NameN-[[5-(furan-3-yl)-1-benzofuran-7-yl]methyl]-2-phenylpiperidin-3-amine
SMILESc1ccc(C2NCCCC2NCc2cc(-c3ccoc3)cc3ccoc23)cc1
InChIInChI=1S/C24H24N2O2/c1-2-5-17(6-3-1)23-22(7-4-10-25-23)26-15-21-14-20(19-8-11-27-16-19)13-18-9-12-28-24(18)21/h1-3,5-6,8-9,11-14,16,22-23,25-26H,4,7,10,15H2
InChIKeySGWJBBKCLQMVFT-UHFFFAOYSA-N
XLogP5.28
TPSA50.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-3-yl)-1-benzofuran-7-yl]methyl]-2-phenylpiperidin-3-amine?
The IUPAC name of N-[[5-(furan-3-yl)-1-benzofuran-7-yl]methyl]-2-phenylpiperidin-3-amine (CID 21220897) is N-[[5-(furan-3-yl)-1-benzofuran-7-yl]methyl]-2-phenylpiperidin-3-amine.
What is the SMILES notation for N-[[5-(furan-3-yl)-1-benzofuran-7-yl]methyl]-2-phenylpiperidin-3-amine?
The canonical SMILES for N-[[5-(furan-3-yl)-1-benzofuran-7-yl]methyl]-2-phenylpiperidin-3-amine is c1ccc(C2NCCCC2NCc2cc(-c3ccoc3)cc3ccoc23)cc1.
What is the InChIKey of N-[[5-(furan-3-yl)-1-benzofuran-7-yl]methyl]-2-phenylpiperidin-3-amine?
The InChIKey is SGWJBBKCLQMVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-2-5-17(6-3-1)23-22(7-4-10-25-23)26-15-21-14-20(19-8-11-27-16-19)13-18-9-12-28-24(18)21/h1-3,5-6,8-9,11-14,16,22-23,25-26H,4,7,10,15H2.
What are the key properties of N-[[5-(furan-3-yl)-1-benzofuran-7-yl]methyl]-2-phenylpiperidin-3-amine?
N-[[5-(furan-3-yl)-1-benzofuran-7-yl]methyl]-2-phenylpiperidin-3-amine has a molecular weight of 372.47 g/mol, XLogP of 5.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-3-yl)-1-benzofuran-7-yl]methyl]-2-phenylpiperidin-3-amine is sourced from PubChem (CID 21220897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).