2-benzo[e][1]benzofuran-1-yl-N-(4-piperidin-1-ylphenyl)acetamide

C25H24N2O2 — CID 7922400

IUPAC2-benzo[e][1]benzofuran-1-yl-N-(4-piperidin-1-ylphenyl)acetamide
SMILESO=C(Cc1coc2ccc3ccccc3c12)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C25H24N2O2/c28-24(26-20-9-11-21(12-10-20)27-14-4-1-5-15-27)16-19-17-29-23-13-8-18-6-2-3-7-22(18)25(19)23/h2-3,6-13,17H,1,4-5,14-16H2,(H,26,28)
InChIKeyOCNMFWOUFHYUTP-UHFFFAOYSA-N
MW384.48 g/mol
LogP5.76
Rot. Bonds4

About 2-benzo[e][1]benzofuran-1-yl-N-(4-piperidin-1-ylphenyl)acetamide

2-benzo[e][1]benzofuran-1-yl-N-(4-piperidin-1-ylphenyl)acetamide (PubChem CID 7922400) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-benzo[e][1]benzofuran-1-yl-N-(4-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-benzo[e][1]benzofuran-1-yl-N-(4-piperidin-1-ylphenyl)acetamide
PubChem CID7922400
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Name2-benzo[e][1]benzofuran-1-yl-N-(4-piperidin-1-ylphenyl)acetamide
SMILESO=C(Cc1coc2ccc3ccccc3c12)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C25H24N2O2/c28-24(26-20-9-11-21(12-10-20)27-14-4-1-5-15-27)16-19-17-29-23-13-8-18-6-2-3-7-22(18)25(19)23/h2-3,6-13,17H,1,4-5,14-16H2,(H,26,28)
InChIKeyOCNMFWOUFHYUTP-UHFFFAOYSA-N
XLogP5.76
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-benzo[e][1]benzofuran-1-yl-N-piperidin-1-ylacetamide
CID 9271571
2-benzo[e][1]benzofuran-1-yl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 4289889
2-benzo[e][1]benzofuran-1-yl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 1281578
2-benzo[e][1]benzofuran-1-yl-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
CID 4728274
4-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-N,N-diethylbenzamide
CID 34543248
2-benzo[e][1]benzofuran-1-yl-N-(2-chlorophenyl)acetamide
CID 829773
N-[4-(azepan-1-yl)phenyl]-2-phenylacetamide
CID 16620353
2-benzo[e][1]benzofuran-1-yl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 18860730
2-(2-aminophenyl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 28712679
2-benzo[e][1]benzofuran-1-yl-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]acetamide
CID 18860779
2-benzo[e][1]benzofuran-1-yl-N-(2-phenylsulfanylphenyl)acetamide
CID 4728261
2-benzo[e][1]benzofuran-1-yl-N-(2,4-difluorophenyl)acetamide
CID 4799876

Frequently Asked Questions

What is the IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-(4-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-(4-piperidin-1-ylphenyl)acetamide (CID 7922400) is 2-benzo[e][1]benzofuran-1-yl-N-(4-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-benzo[e][1]benzofuran-1-yl-N-(4-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-benzo[e][1]benzofuran-1-yl-N-(4-piperidin-1-ylphenyl)acetamide is O=C(Cc1coc2ccc3ccccc3c12)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 2-benzo[e][1]benzofuran-1-yl-N-(4-piperidin-1-ylphenyl)acetamide?
The InChIKey is OCNMFWOUFHYUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c28-24(26-20-9-11-21(12-10-20)27-14-4-1-5-15-27)16-19-17-29-23-13-8-18-6-2-3-7-22(18)25(19)23/h2-3,6-13,17H,1,4-5,14-16H2,(H,26,28).
What are the key properties of 2-benzo[e][1]benzofuran-1-yl-N-(4-piperidin-1-ylphenyl)acetamide?
2-benzo[e][1]benzofuran-1-yl-N-(4-piperidin-1-ylphenyl)acetamide has a molecular weight of 384.48 g/mol, XLogP of 5.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[e][1]benzofuran-1-yl-N-(4-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 7922400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).