2-[(2-methoxydibenzofuran-3-yl)amino]-N-(4-piperidin-1-ylphenyl)acetamide

C26H27N3O3 — CID 16580953

IUPAC2-[(2-methoxydibenzofuran-3-yl)amino]-N-(4-piperidin-1-ylphenyl)acetamide
SMILESCOc1cc2c(cc1NCC(=O)Nc1ccc(N3CCCCC3)cc1)oc1ccccc12
InChIInChI=1S/C26H27N3O3/c1-31-25-15-21-20-7-3-4-8-23(20)32-24(21)16-22(25)27-17-26(30)28-18-9-11-19(12-10-18)29-13-5-2-6-14-29/h3-4,7-12,15-16,27H,2,5-6,13-14,17H2,1H3,(H,28,30)
InChIKeyNQOHSQYICTYQSV-UHFFFAOYSA-N
MW429.52 g/mol
LogP5.64
Rot. Bonds6

About 2-[(2-methoxydibenzofuran-3-yl)amino]-N-(4-piperidin-1-ylphenyl)acetamide

2-[(2-methoxydibenzofuran-3-yl)amino]-N-(4-piperidin-1-ylphenyl)acetamide (PubChem CID 16580953) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is 2-[(2-methoxydibenzofuran-3-yl)amino]-N-(4-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2-methoxydibenzofuran-3-yl)amino]-N-(4-piperidin-1-ylphenyl)acetamide
PubChem CID16580953
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name2-[(2-methoxydibenzofuran-3-yl)amino]-N-(4-piperidin-1-ylphenyl)acetamide
SMILESCOc1cc2c(cc1NCC(=O)Nc1ccc(N3CCCCC3)cc1)oc1ccccc12
InChIInChI=1S/C26H27N3O3/c1-31-25-15-21-20-7-3-4-8-23(20)32-24(21)16-22(25)27-17-26(30)28-18-9-11-19(12-10-18)29-13-5-2-6-14-29/h3-4,7-12,15-16,27H,2,5-6,13-14,17H2,1H3,(H,28,30)
InChIKeyNQOHSQYICTYQSV-UHFFFAOYSA-N
XLogP5.64
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.52
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_OC_alk_A(4)', 'substructure': 'N/A'}

Analyze 2-[(2-methoxydibenzofuran-3-yl)amino]-N-(4-piperidin-1-ylphenyl)acetamide 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 2-[(2-methoxydibenzofuran-3-yl)amino]-N-(4-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[(2-methoxydibenzofuran-3-yl)amino]-N-(4-piperidin-1-ylphenyl)acetamide (CID 16580953) is 2-[(2-methoxydibenzofuran-3-yl)amino]-N-(4-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[(2-methoxydibenzofuran-3-yl)amino]-N-(4-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[(2-methoxydibenzofuran-3-yl)amino]-N-(4-piperidin-1-ylphenyl)acetamide is COc1cc2c(cc1NCC(=O)Nc1ccc(N3CCCCC3)cc1)oc1ccccc12.
What is the InChIKey of 2-[(2-methoxydibenzofuran-3-yl)amino]-N-(4-piperidin-1-ylphenyl)acetamide?
The InChIKey is NQOHSQYICTYQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-31-25-15-21-20-7-3-4-8-23(20)32-24(21)16-22(25)27-17-26(30)28-18-9-11-19(12-10-18)29-13-5-2-6-14-29/h3-4,7-12,15-16,27H,2,5-6,13-14,17H2,1H3,(H,28,30).
What are the key properties of 2-[(2-methoxydibenzofuran-3-yl)amino]-N-(4-piperidin-1-ylphenyl)acetamide?
2-[(2-methoxydibenzofuran-3-yl)amino]-N-(4-piperidin-1-ylphenyl)acetamide has a molecular weight of 429.52 g/mol, XLogP of 5.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxydibenzofuran-3-yl)amino]-N-(4-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 16580953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).