1-(4-aminopiperidin-1-yl)-2-(5-fluoro-1-benzofuran-3-yl)ethanone

C15H17FN2O2 — CID 110488719

IUPAC1-(4-aminopiperidin-1-yl)-2-(5-fluoro-1-benzofuran-3-yl)ethanone
SMILESNC1CCN(C(=O)Cc2coc3ccc(F)cc23)CC1
InChIInChI=1S/C15H17FN2O2/c16-11-1-2-14-13(8-11)10(9-20-14)7-15(19)18-5-3-12(17)4-6-18/h1-2,8-9,12H,3-7,17H2
InChIKeyOJEWJLFCKQCDPR-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.06
Rot. Bonds2

About 1-(4-aminopiperidin-1-yl)-2-(5-fluoro-1-benzofuran-3-yl)ethanone

1-(4-aminopiperidin-1-yl)-2-(5-fluoro-1-benzofuran-3-yl)ethanone (PubChem CID 110488719) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-2-(5-fluoro-1-benzofuran-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-2-(5-fluoro-1-benzofuran-3-yl)ethanone
PubChem CID110488719
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name1-(4-aminopiperidin-1-yl)-2-(5-fluoro-1-benzofuran-3-yl)ethanone
SMILESNC1CCN(C(=O)Cc2coc3ccc(F)cc23)CC1
InChIInChI=1S/C15H17FN2O2/c16-11-1-2-14-13(8-11)10(9-20-14)7-15(19)18-5-3-12(17)4-6-18/h1-2,8-9,12H,3-7,17H2
InChIKeyOJEWJLFCKQCDPR-UHFFFAOYSA-N
XLogP2.06
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-fluoro-1-benzofuran-3-yl)-1-piperidin-1-ylethanone
CID 110488716
2-(5-fluoro-1-benzofuran-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 18860190
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)ethanone
CID 119410925
1-(4-benzylpiperidin-1-yl)-2-(5-chloro-1-benzofuran-3-yl)ethanone
CID 18860355
1-(4-benzylpiperidin-1-yl)-2-(5-ethyl-1-benzofuran-3-yl)ethanone
CID 18860504
1-(4-aminopiperidin-1-yl)-3-(2,5-difluorophenyl)propan-1-one
CID 119375776
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone
CID 119411464
2-(5-methoxy-1-benzofuran-3-yl)-1-pyrrolidin-1-ylethanone
CID 110488784
1-(3-aminopyrrolidin-1-yl)-2-(2-bromo-4-fluorophenyl)ethanone;hydrochloride
CID 170456758
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)ethanone
CID 119518463
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-(6-fluoro-1-benzofuran-3-yl)ethanone;hydrochloride
CID 120746706
2-(6-methyl-1-benzofuran-3-yl)-1-(4-methylpiperidin-1-yl)ethanone
CID 18872267

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-2-(5-fluoro-1-benzofuran-3-yl)ethanone?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-2-(5-fluoro-1-benzofuran-3-yl)ethanone (CID 110488719) is 1-(4-aminopiperidin-1-yl)-2-(5-fluoro-1-benzofuran-3-yl)ethanone.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-2-(5-fluoro-1-benzofuran-3-yl)ethanone?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-2-(5-fluoro-1-benzofuran-3-yl)ethanone is NC1CCN(C(=O)Cc2coc3ccc(F)cc23)CC1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-2-(5-fluoro-1-benzofuran-3-yl)ethanone?
The InChIKey is OJEWJLFCKQCDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c16-11-1-2-14-13(8-11)10(9-20-14)7-15(19)18-5-3-12(17)4-6-18/h1-2,8-9,12H,3-7,17H2.
What are the key properties of 1-(4-aminopiperidin-1-yl)-2-(5-fluoro-1-benzofuran-3-yl)ethanone?
1-(4-aminopiperidin-1-yl)-2-(5-fluoro-1-benzofuran-3-yl)ethanone has a molecular weight of 276.31 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-2-(5-fluoro-1-benzofuran-3-yl)ethanone is sourced from PubChem (CID 110488719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).