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

C18H22N2O2 — CID 119379053

IUPAC1-(3-aminopiperidin-1-yl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)ethanone
SMILESNC1CCCN(C(=O)Cc2coc3cc4c(cc23)CCC4)C1
InChIInChI=1S/C18H22N2O2/c19-15-5-2-6-20(10-15)18(21)9-14-11-22-17-8-13-4-1-3-12(13)7-16(14)17/h7-8,11,15H,1-6,9-10,19H2
InChIKeyPDRRYKFOKXZDLY-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.41
Rot. Bonds2

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

1-(3-aminopiperidin-1-yl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)ethanone (PubChem CID 119379053) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-(3-aminopiperidin-1-yl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)ethanone.

Molecular Properties

Compound Name1-(3-aminopiperidin-1-yl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)ethanone
PubChem CID119379053
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-(3-aminopiperidin-1-yl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)ethanone
SMILESNC1CCCN(C(=O)Cc2coc3cc4c(cc23)CCC4)C1
InChIInChI=1S/C18H22N2O2/c19-15-5-2-6-20(10-15)18(21)9-14-11-22-17-8-13-4-1-3-12(13)7-16(14)17/h7-8,11,15H,1-6,9-10,19H2
InChIKeyPDRRYKFOKXZDLY-UHFFFAOYSA-N
XLogP2.41
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-aminopiperidin-1-yl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)ethanone with MolForge

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Related Compounds

1-[(3R)-3-aminopyrrolidin-1-yl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)ethanone
CID 119410925
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)ethanone
CID 119518463
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone
CID 119645902
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 42885973
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 78771248
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 55338053
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone
CID 119411464
4-[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 33006770
1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)ethanone;hydrochloride
CID 120744335
N-(2-aminoethyl)-1-[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]piperidine-3-carboxamide;hydrochloride
CID 119479666
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 112797586
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-(4-hydroxy-9-oxa-2-azaspiro[5.5]undecan-2-yl)ethanone
CID 154867338

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopiperidin-1-yl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)ethanone?
The IUPAC name of 1-(3-aminopiperidin-1-yl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)ethanone (CID 119379053) is 1-(3-aminopiperidin-1-yl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)ethanone.
What is the SMILES notation for 1-(3-aminopiperidin-1-yl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)ethanone?
The canonical SMILES for 1-(3-aminopiperidin-1-yl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)ethanone is NC1CCCN(C(=O)Cc2coc3cc4c(cc23)CCC4)C1.
What is the InChIKey of 1-(3-aminopiperidin-1-yl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)ethanone?
The InChIKey is PDRRYKFOKXZDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c19-15-5-2-6-20(10-15)18(21)9-14-11-22-17-8-13-4-1-3-12(13)7-16(14)17/h7-8,11,15H,1-6,9-10,19H2.
What are the key properties of 1-(3-aminopiperidin-1-yl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)ethanone?
1-(3-aminopiperidin-1-yl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)ethanone has a molecular weight of 298.39 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopiperidin-1-yl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)ethanone is sourced from PubChem (CID 119379053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).