1-[(6S)-1-(isoquinoline-1-carbonyl)-6-methylpiperidin-3-yl]ethanone

C18H20N2O2 — CID 134465241

IUPAC1-[(6S)-1-(isoquinoline-1-carbonyl)-6-methylpiperidin-3-yl]ethanone
SMILESCC(=O)C1CC[C@H](C)N(C(=O)c2nccc3ccccc23)C1
InChIInChI=1S/C18H20N2O2/c1-12-7-8-15(13(2)21)11-20(12)18(22)17-16-6-4-3-5-14(16)9-10-19-17/h3-6,9-10,12,15H,7-8,11H2,1-2H3/t12-,15?/m0/s1
InChIKeyAZDJNNBGQWALHT-SFVWDYPZSA-N
MW296.37 g/mol
LogP3.06
Rot. Bonds2

About 1-[(6S)-1-(isoquinoline-1-carbonyl)-6-methylpiperidin-3-yl]ethanone

1-[(6S)-1-(isoquinoline-1-carbonyl)-6-methylpiperidin-3-yl]ethanone (PubChem CID 134465241) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-[(6S)-1-(isoquinoline-1-carbonyl)-6-methylpiperidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[(6S)-1-(isoquinoline-1-carbonyl)-6-methylpiperidin-3-yl]ethanone
PubChem CID134465241
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name1-[(6S)-1-(isoquinoline-1-carbonyl)-6-methylpiperidin-3-yl]ethanone
SMILESCC(=O)C1CC[C@H](C)N(C(=O)c2nccc3ccccc23)C1
InChIInChI=1S/C18H20N2O2/c1-12-7-8-15(13(2)21)11-20(12)18(22)17-16-6-4-3-5-14(16)9-10-19-17/h3-6,9-10,12,15H,7-8,11H2,1-2H3/t12-,15?/m0/s1
InChIKeyAZDJNNBGQWALHT-SFVWDYPZSA-N
XLogP3.06
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(6S)-1-(isoquinoline-1-carbonyl)-6-methylpiperidin-3-yl]ethanone with MolForge

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Related Compounds

ethane;1-[1-(isoquinoline-1-carbonyl)piperidin-4-yl]ethanone
CID 145399194
[2-(bromomethyl)-5-methylmorpholin-4-yl]-isoquinolin-1-ylmethanone
CID 81214033
(3,5-dimethylmorpholin-4-yl)-isoquinolin-1-ylmethanone
CID 71874429
(3,4-dihydroxypyrrolidin-1-yl)-isoquinolin-1-ylmethanone
CID 106671738
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-isoquinolin-1-ylmethanone
CID 79028762
[2-(bromomethyl)azepan-1-yl]-isoquinolin-1-ylmethanone
CID 116639380
isoquinolin-1-yl-[3-(methylamino)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119413779
[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-isoquinolin-1-ylmethanone
CID 128988214
3-[(2R)-1-(isoquinoline-1-carbonyl)piperidin-2-yl]propanoic acid
CID 125118170
[(3S)-3-hydroxypiperidin-1-yl]-isoquinolin-1-ylmethanone
CID 107224794
2-[1-(isoquinoline-1-carbonyl)azetidin-3-yl]propanoic acid
CID 116680853
[(2R)-2-methylpyrrolidin-1-yl]-(1,7-naphthyridin-8-yl)methanone
CID 123840614

Frequently Asked Questions

What is the IUPAC name of 1-[(6S)-1-(isoquinoline-1-carbonyl)-6-methylpiperidin-3-yl]ethanone?
The IUPAC name of 1-[(6S)-1-(isoquinoline-1-carbonyl)-6-methylpiperidin-3-yl]ethanone (CID 134465241) is 1-[(6S)-1-(isoquinoline-1-carbonyl)-6-methylpiperidin-3-yl]ethanone.
What is the SMILES notation for 1-[(6S)-1-(isoquinoline-1-carbonyl)-6-methylpiperidin-3-yl]ethanone?
The canonical SMILES for 1-[(6S)-1-(isoquinoline-1-carbonyl)-6-methylpiperidin-3-yl]ethanone is CC(=O)C1CC[C@H](C)N(C(=O)c2nccc3ccccc23)C1.
What is the InChIKey of 1-[(6S)-1-(isoquinoline-1-carbonyl)-6-methylpiperidin-3-yl]ethanone?
The InChIKey is AZDJNNBGQWALHT-SFVWDYPZSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-12-7-8-15(13(2)21)11-20(12)18(22)17-16-6-4-3-5-14(16)9-10-19-17/h3-6,9-10,12,15H,7-8,11H2,1-2H3/t12-,15?/m0/s1.
What are the key properties of 1-[(6S)-1-(isoquinoline-1-carbonyl)-6-methylpiperidin-3-yl]ethanone?
1-[(6S)-1-(isoquinoline-1-carbonyl)-6-methylpiperidin-3-yl]ethanone has a molecular weight of 296.37 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6S)-1-(isoquinoline-1-carbonyl)-6-methylpiperidin-3-yl]ethanone is sourced from PubChem (CID 134465241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).