benzo[e][1]benzofuran-2-yl-(4-methylpiperidin-1-yl)methanone

C19H19NO2 — CID 6460594

IUPACbenzo[e][1]benzofuran-2-yl-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cc3c(ccc4ccccc43)o2)CC1
InChIInChI=1S/C19H19NO2/c1-13-8-10-20(11-9-13)19(21)18-12-16-15-5-3-2-4-14(15)6-7-17(16)22-18/h2-7,12-13H,8-11H2,1H3
InChIKeyKBUGOUFFTMZFKA-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.46
Rot. Bonds1

About benzo[e][1]benzofuran-2-yl-(4-methylpiperidin-1-yl)methanone

benzo[e][1]benzofuran-2-yl-(4-methylpiperidin-1-yl)methanone (PubChem CID 6460594) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is benzo[e][1]benzofuran-2-yl-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Namebenzo[e][1]benzofuran-2-yl-(4-methylpiperidin-1-yl)methanone
PubChem CID6460594
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Namebenzo[e][1]benzofuran-2-yl-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cc3c(ccc4ccccc43)o2)CC1
InChIInChI=1S/C19H19NO2/c1-13-8-10-20(11-9-13)19(21)18-12-16-15-5-3-2-4-14(15)6-7-17(16)22-18/h2-7,12-13H,8-11H2,1H3
InChIKeyKBUGOUFFTMZFKA-UHFFFAOYSA-N
XLogP4.46
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzo[e][1]benzofuran-2-yl-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of benzo[e][1]benzofuran-2-yl-(4-methylpiperidin-1-yl)methanone (CID 6460594) is benzo[e][1]benzofuran-2-yl-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for benzo[e][1]benzofuran-2-yl-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for benzo[e][1]benzofuran-2-yl-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2cc3c(ccc4ccccc43)o2)CC1.
What is the InChIKey of benzo[e][1]benzofuran-2-yl-(4-methylpiperidin-1-yl)methanone?
The InChIKey is KBUGOUFFTMZFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-13-8-10-20(11-9-13)19(21)18-12-16-15-5-3-2-4-14(15)6-7-17(16)22-18/h2-7,12-13H,8-11H2,1H3.
What are the key properties of benzo[e][1]benzofuran-2-yl-(4-methylpiperidin-1-yl)methanone?
benzo[e][1]benzofuran-2-yl-(4-methylpiperidin-1-yl)methanone has a molecular weight of 293.37 g/mol, XLogP of 4.46, 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-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 6460594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).