2-(4-aminopiperidin-1-yl)-1-isoquinolin-8-ylethanone

C16H19N3O — CID 103133386

IUPAC2-(4-aminopiperidin-1-yl)-1-isoquinolin-8-ylethanone
SMILESNC1CCN(CC(=O)c2cccc3ccncc23)CC1
InChIInChI=1S/C16H19N3O/c17-13-5-8-19(9-6-13)11-16(20)14-3-1-2-12-4-7-18-10-15(12)14/h1-4,7,10,13H,5-6,8-9,11,17H2
InChIKeyFDDWHGOZSIZFBQ-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.84
Rot. Bonds3

About 2-(4-aminopiperidin-1-yl)-1-isoquinolin-8-ylethanone

2-(4-aminopiperidin-1-yl)-1-isoquinolin-8-ylethanone (PubChem CID 103133386) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-1-isoquinolin-8-ylethanone.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-1-isoquinolin-8-ylethanone
PubChem CID103133386
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-(4-aminopiperidin-1-yl)-1-isoquinolin-8-ylethanone
SMILESNC1CCN(CC(=O)c2cccc3ccncc23)CC1
InChIInChI=1S/C16H19N3O/c17-13-5-8-19(9-6-13)11-16(20)14-3-1-2-12-4-7-18-10-15(12)14/h1-4,7,10,13H,5-6,8-9,11,17H2
InChIKeyFDDWHGOZSIZFBQ-UHFFFAOYSA-N
XLogP1.84
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-isoquinolin-8-ylpropan-1-one
CID 103132952
2-tert-butylsulfanyl-1-isoquinolin-8-ylethanone
CID 103143300
1-isoquinolin-8-yl-3,3-dimethylbutan-1-one
CID 103133892
cyclohexyl(isoquinolin-8-yl)methanone
CID 103134088
isoquinoline-8-carboxylate
CID 86306452
2-(3-aminopyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone
CID 62069531
2-(3-ethoxycyclobutyl)-1-isoquinolin-8-ylethanone
CID 103168190
2-(4-aminopiperidin-1-yl)-1-(furan-2-yl)ethanone
CID 62031487
2-[(3S)-3-aminopyrrolidin-1-yl]-1-pyrazin-2-ylethanone
CID 71644010
isoquinolin-8-yl-(4-propylcyclohexyl)methanone
CID 103143308
2,2-difluoro-1-isoquinolin-8-ylethanone
CID 103143371
2-(4-aminopiperidin-1-yl)-1-(2,4-difluorophenyl)ethanone
CID 62029010

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-1-isoquinolin-8-ylethanone?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-1-isoquinolin-8-ylethanone (CID 103133386) is 2-(4-aminopiperidin-1-yl)-1-isoquinolin-8-ylethanone.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-1-isoquinolin-8-ylethanone?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-1-isoquinolin-8-ylethanone is NC1CCN(CC(=O)c2cccc3ccncc23)CC1.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-1-isoquinolin-8-ylethanone?
The InChIKey is FDDWHGOZSIZFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c17-13-5-8-19(9-6-13)11-16(20)14-3-1-2-12-4-7-18-10-15(12)14/h1-4,7,10,13H,5-6,8-9,11,17H2.
What are the key properties of 2-(4-aminopiperidin-1-yl)-1-isoquinolin-8-ylethanone?
2-(4-aminopiperidin-1-yl)-1-isoquinolin-8-ylethanone has a molecular weight of 269.35 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-1-isoquinolin-8-ylethanone is sourced from PubChem (CID 103133386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).