benzo[e][1]benzofuran-2-yl(piperidin-1-yl)methanone

C18H17NO2 — CID 2987801

IUPACbenzo[e][1]benzofuran-2-yl(piperidin-1-yl)methanone
SMILESO=C(c1cc2c(ccc3ccccc32)o1)N1CCCCC1
InChIInChI=1S/C18H17NO2/c20-18(19-10-4-1-5-11-19)17-12-15-14-7-3-2-6-13(14)8-9-16(15)21-17/h2-3,6-9,12H,1,4-5,10-11H2
InChIKeyJKIBNIRZTVIZMG-UHFFFAOYSA-N
MW279.34 g/mol
LogP4.21
Rot. Bonds1

About benzo[e][1]benzofuran-2-yl(piperidin-1-yl)methanone

benzo[e][1]benzofuran-2-yl(piperidin-1-yl)methanone (PubChem CID 2987801) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is benzo[e][1]benzofuran-2-yl(piperidin-1-yl)methanone.

Molecular Properties

Compound Namebenzo[e][1]benzofuran-2-yl(piperidin-1-yl)methanone
PubChem CID2987801
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Namebenzo[e][1]benzofuran-2-yl(piperidin-1-yl)methanone
SMILESO=C(c1cc2c(ccc3ccccc32)o1)N1CCCCC1
InChIInChI=1S/C18H17NO2/c20-18(19-10-4-1-5-11-19)17-12-15-14-7-3-2-6-13(14)8-9-16(15)21-17/h2-3,6-9,12H,1,4-5,10-11H2
InChIKeyJKIBNIRZTVIZMG-UHFFFAOYSA-N
XLogP4.21
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze benzo[e][1]benzofuran-2-yl(piperidin-1-yl)methanone 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 benzo[e][1]benzofuran-2-yl(piperidin-1-yl)methanone?
The IUPAC name of benzo[e][1]benzofuran-2-yl(piperidin-1-yl)methanone (CID 2987801) is benzo[e][1]benzofuran-2-yl(piperidin-1-yl)methanone.
What is the SMILES notation for benzo[e][1]benzofuran-2-yl(piperidin-1-yl)methanone?
The canonical SMILES for benzo[e][1]benzofuran-2-yl(piperidin-1-yl)methanone is O=C(c1cc2c(ccc3ccccc32)o1)N1CCCCC1.
What is the InChIKey of benzo[e][1]benzofuran-2-yl(piperidin-1-yl)methanone?
The InChIKey is JKIBNIRZTVIZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c20-18(19-10-4-1-5-11-19)17-12-15-14-7-3-2-6-13(14)8-9-16(15)21-17/h2-3,6-9,12H,1,4-5,10-11H2.
What are the key properties of benzo[e][1]benzofuran-2-yl(piperidin-1-yl)methanone?
benzo[e][1]benzofuran-2-yl(piperidin-1-yl)methanone has a molecular weight of 279.34 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[e][1]benzofuran-2-yl(piperidin-1-yl)methanone is sourced from PubChem (CID 2987801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).