5-[2-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]piperidin-2-one

C16H19FN2O2 — CID 138036855

IUPAC5-[2-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]piperidin-2-one
SMILESO=C1CCC(CC(=O)N2CCc3cc(F)ccc3C2)CN1
InChIInChI=1S/C16H19FN2O2/c17-14-3-2-13-10-19(6-5-12(13)8-14)16(21)7-11-1-4-15(20)18-9-11/h2-3,8,11H,1,4-7,9-10H2,(H,18,20)
InChIKeyHIPCGYVQJYRBHN-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.63
Rot. Bonds2

About 5-[2-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]piperidin-2-one

5-[2-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]piperidin-2-one (PubChem CID 138036855) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is 5-[2-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]piperidin-2-one.

Molecular Properties

Compound Name5-[2-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]piperidin-2-one
PubChem CID138036855
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name5-[2-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]piperidin-2-one
SMILESO=C1CCC(CC(=O)N2CCc3cc(F)ccc3C2)CN1
InChIInChI=1S/C16H19FN2O2/c17-14-3-2-13-10-19(6-5-12(13)8-14)16(21)7-11-1-4-15(20)18-9-11/h2-3,8,11H,1,4-7,9-10H2,(H,18,20)
InChIKeyHIPCGYVQJYRBHN-UHFFFAOYSA-N
XLogP1.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone
CID 127264792
1-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-(methylamino)ethanone;hydrochloride
CID 120705217
(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanone
CID 146127042
(1-amino-3-methoxycyclobutyl)-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 166270376
1-[2-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-(4-fluorophenyl)pyrrolidin-2-one
CID 67376937
6-[[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]piperidin-1-yl]methyl]morpholin-3-one
CID 171994377
1-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropan-1-one
CID 165136223
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone;hydrochloride
CID 119669639
6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-[(2-fluorophenyl)methylsulfanyl]-1,3-diazinan-4-one
CID 74610966
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]ethanone
CID 171994769
4-(7-fluoro-3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclohexane-1-carboxylic acid
CID 120674494
1-(6-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxyethanone
CID 68786097

Frequently Asked Questions

What is the IUPAC name of 5-[2-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]piperidin-2-one?
The IUPAC name of 5-[2-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]piperidin-2-one (CID 138036855) is 5-[2-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]piperidin-2-one.
What is the SMILES notation for 5-[2-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]piperidin-2-one?
The canonical SMILES for 5-[2-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]piperidin-2-one is O=C1CCC(CC(=O)N2CCc3cc(F)ccc3C2)CN1.
What is the InChIKey of 5-[2-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]piperidin-2-one?
The InChIKey is HIPCGYVQJYRBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c17-14-3-2-13-10-19(6-5-12(13)8-14)16(21)7-11-1-4-15(20)18-9-11/h2-3,8,11H,1,4-7,9-10H2,(H,18,20).
What are the key properties of 5-[2-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]piperidin-2-one?
5-[2-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]piperidin-2-one has a molecular weight of 290.34 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]piperidin-2-one is sourced from PubChem (CID 138036855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).