2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone

C21H28N2O2 — CID 119645902

IUPAC2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone
SMILESCCNCC1CCN(C(=O)Cc2coc3cc4c(cc23)CCC4)CC1
InChIInChI=1S/C21H28N2O2/c1-2-22-13-15-6-8-23(9-7-15)21(24)12-18-14-25-20-11-17-5-3-4-16(17)10-19(18)20/h10-11,14-15,22H,2-9,12-13H2,1H3
InChIKeyQDTAUWOLAKQRIA-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.31
Rot. Bonds5

About 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone

2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone (PubChem CID 119645902) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone
PubChem CID119645902
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone
SMILESCCNCC1CCN(C(=O)Cc2coc3cc4c(cc23)CCC4)CC1
InChIInChI=1S/C21H28N2O2/c1-2-22-13-15-6-8-23(9-7-15)21(24)12-18-14-25-20-11-17-5-3-4-16(17)10-19(18)20/h10-11,14-15,22H,2-9,12-13H2,1H3
InChIKeyQDTAUWOLAKQRIA-UHFFFAOYSA-N
XLogP3.31
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone (CID 119645902) is 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone is CCNCC1CCN(C(=O)Cc2coc3cc4c(cc23)CCC4)CC1.
What is the InChIKey of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone?
The InChIKey is QDTAUWOLAKQRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-2-22-13-15-6-8-23(9-7-15)21(24)12-18-14-25-20-11-17-5-3-4-16(17)10-19(18)20/h10-11,14-15,22H,2-9,12-13H2,1H3.
What are the key properties of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone?
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone has a molecular weight of 340.47 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 119645902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).