2-[2-(1-methylpiperidin-2-yl)ethyl]-3,4-dihydroisoquinolin-1-one

C17H24N2O — CID 107914190

IUPAC2-[2-(1-methylpiperidin-2-yl)ethyl]-3,4-dihydroisoquinolin-1-one
SMILESCN1CCCCC1CCN1CCc2ccccc2C1=O
InChIInChI=1S/C17H24N2O/c1-18-11-5-4-7-15(18)10-13-19-12-9-14-6-2-3-8-16(14)17(19)20/h2-3,6,8,15H,4-5,7,9-13H2,1H3
InChIKeyKOKQFNXOXSPBCC-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.56
Rot. Bonds3

About 2-[2-(1-methylpiperidin-2-yl)ethyl]-3,4-dihydroisoquinolin-1-one

2-[2-(1-methylpiperidin-2-yl)ethyl]-3,4-dihydroisoquinolin-1-one (PubChem CID 107914190) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-[2-(1-methylpiperidin-2-yl)ethyl]-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name2-[2-(1-methylpiperidin-2-yl)ethyl]-3,4-dihydroisoquinolin-1-one
PubChem CID107914190
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-[2-(1-methylpiperidin-2-yl)ethyl]-3,4-dihydroisoquinolin-1-one
SMILESCN1CCCCC1CCN1CCc2ccccc2C1=O
InChIInChI=1S/C17H24N2O/c1-18-11-5-4-7-15(18)10-13-19-12-9-14-6-2-3-8-16(14)17(19)20/h2-3,6,8,15H,4-5,7,9-13H2,1H3
InChIKeyKOKQFNXOXSPBCC-UHFFFAOYSA-N
XLogP2.56
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-cyclopropylethyl)-4,5-dihydro-3H-2-benzazepin-1-one
CID 113422912
2-(2-piperidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one
CID 115773461
2-(3-pyrrolidin-1-ylpropyl)-3,4-dihydroisoquinolin-1-one
CID 115773441
(NZ)-N-[1-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine
CID 107912556
2-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydroisoquinolin-1-one
CID 115873461
2-(cyclopropylmethyl)-3,4-dihydroisoquinolin-1-one
CID 70927083
2-nonyl-3,4-dihydroisoquinolin-1-one
CID 104501189
1-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydroindol-5-amine
CID 107912688
2-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydroisoquinolin-1-one
CID 112706164
2-(4,4-dimethylpentyl)-3,4-dihydroisoquinolin-1-one
CID 114210266
2-[[2-(hydroxymethyl)cyclohexyl]methyl]-3,4-dihydroisoquinolin-1-one
CID 104550204
1-[2-(1-methylpiperidin-2-yl)ethyl]-4,5-dihydro-3H-1,4-benzodiazepin-2-one
CID 107913495

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylpiperidin-2-yl)ethyl]-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 2-[2-(1-methylpiperidin-2-yl)ethyl]-3,4-dihydroisoquinolin-1-one (CID 107914190) is 2-[2-(1-methylpiperidin-2-yl)ethyl]-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 2-[2-(1-methylpiperidin-2-yl)ethyl]-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 2-[2-(1-methylpiperidin-2-yl)ethyl]-3,4-dihydroisoquinolin-1-one is CN1CCCCC1CCN1CCc2ccccc2C1=O.
What is the InChIKey of 2-[2-(1-methylpiperidin-2-yl)ethyl]-3,4-dihydroisoquinolin-1-one?
The InChIKey is KOKQFNXOXSPBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-18-11-5-4-7-15(18)10-13-19-12-9-14-6-2-3-8-16(14)17(19)20/h2-3,6,8,15H,4-5,7,9-13H2,1H3.
What are the key properties of 2-[2-(1-methylpiperidin-2-yl)ethyl]-3,4-dihydroisoquinolin-1-one?
2-[2-(1-methylpiperidin-2-yl)ethyl]-3,4-dihydroisoquinolin-1-one has a molecular weight of 272.39 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methylpiperidin-2-yl)ethyl]-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 107914190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).