5-[1-(4-methylphenyl)piperidin-4-yl]oxy-N-piperidin-4-yl-1-benzofuran-2-carboxamide

C26H31N3O3 — CID 58456844

IUPAC5-[1-(4-methylphenyl)piperidin-4-yl]oxy-N-piperidin-4-yl-1-benzofuran-2-carboxamide
SMILESCc1ccc(N2CCC(Oc3ccc4oc(C(=O)NC5CCNCC5)cc4c3)CC2)cc1
InChIInChI=1S/C26H31N3O3/c1-18-2-4-21(5-3-18)29-14-10-22(11-15-29)31-23-6-7-24-19(16-23)17-25(32-24)26(30)28-20-8-12-27-13-9-20/h2-7,16-17,20,22,27H,8-15H2,1H3,(H,28,30)
InChIKeyIZNOJIQPNXVCCT-UHFFFAOYSA-N
MW433.55 g/mol
LogP4.27
Rot. Bonds5

About 5-[1-(4-methylphenyl)piperidin-4-yl]oxy-N-piperidin-4-yl-1-benzofuran-2-carboxamide

5-[1-(4-methylphenyl)piperidin-4-yl]oxy-N-piperidin-4-yl-1-benzofuran-2-carboxamide (PubChem CID 58456844) has the molecular formula C26H31N3O3 and a molecular weight of 433.55 g/mol. Its IUPAC name is 5-[1-(4-methylphenyl)piperidin-4-yl]oxy-N-piperidin-4-yl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-[1-(4-methylphenyl)piperidin-4-yl]oxy-N-piperidin-4-yl-1-benzofuran-2-carboxamide
PubChem CID58456844
Molecular FormulaC26H31N3O3
Molecular Weight433.55 g/mol
Exact Mass433.24
IUPAC Name5-[1-(4-methylphenyl)piperidin-4-yl]oxy-N-piperidin-4-yl-1-benzofuran-2-carboxamide
SMILESCc1ccc(N2CCC(Oc3ccc4oc(C(=O)NC5CCNCC5)cc4c3)CC2)cc1
InChIInChI=1S/C26H31N3O3/c1-18-2-4-21(5-3-18)29-14-10-22(11-15-29)31-23-6-7-24-19(16-23)17-25(32-24)26(30)28-20-8-12-27-13-9-20/h2-7,16-17,20,22,27H,8-15H2,1H3,(H,28,30)
InChIKeyIZNOJIQPNXVCCT-UHFFFAOYSA-N
XLogP4.27
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 5-[1-(4-methylphenyl)piperidin-4-yl]oxy-N-piperidin-4-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 5-[1-(4-methylphenyl)piperidin-4-yl]oxy-N-piperidin-4-yl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-[1-(4-methylphenyl)piperidin-4-yl]oxy-N-piperidin-4-yl-1-benzofuran-2-carboxamide (CID 58456844) is 5-[1-(4-methylphenyl)piperidin-4-yl]oxy-N-piperidin-4-yl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-[1-(4-methylphenyl)piperidin-4-yl]oxy-N-piperidin-4-yl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-[1-(4-methylphenyl)piperidin-4-yl]oxy-N-piperidin-4-yl-1-benzofuran-2-carboxamide is Cc1ccc(N2CCC(Oc3ccc4oc(C(=O)NC5CCNCC5)cc4c3)CC2)cc1.
What is the InChIKey of 5-[1-(4-methylphenyl)piperidin-4-yl]oxy-N-piperidin-4-yl-1-benzofuran-2-carboxamide?
The InChIKey is IZNOJIQPNXVCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3/c1-18-2-4-21(5-3-18)29-14-10-22(11-15-29)31-23-6-7-24-19(16-23)17-25(32-24)26(30)28-20-8-12-27-13-9-20/h2-7,16-17,20,22,27H,8-15H2,1H3,(H,28,30).
What are the key properties of 5-[1-(4-methylphenyl)piperidin-4-yl]oxy-N-piperidin-4-yl-1-benzofuran-2-carboxamide?
5-[1-(4-methylphenyl)piperidin-4-yl]oxy-N-piperidin-4-yl-1-benzofuran-2-carboxamide has a molecular weight of 433.55 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-methylphenyl)piperidin-4-yl]oxy-N-piperidin-4-yl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 58456844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).