2-(2-piperidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one

C16H22N2O — CID 115773461

IUPAC2-(2-piperidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one
SMILESO=C1c2ccccc2CCN1CCN1CCCCC1
InChIInChI=1S/C16H22N2O/c19-16-15-7-3-2-6-14(15)8-11-18(16)13-12-17-9-4-1-5-10-17/h2-3,6-7H,1,4-5,8-13H2
InChIKeyUHZRSPPWZGOWNV-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.17
Rot. Bonds3

About 2-(2-piperidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one

2-(2-piperidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one (PubChem CID 115773461) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-(2-piperidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name2-(2-piperidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one
PubChem CID115773461
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name2-(2-piperidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one
SMILESO=C1c2ccccc2CCN1CCN1CCCCC1
InChIInChI=1S/C16H22N2O/c19-16-15-7-3-2-6-14(15)8-11-18(16)13-12-17-9-4-1-5-10-17/h2-3,6-7H,1,4-5,8-13H2
InChIKeyUHZRSPPWZGOWNV-UHFFFAOYSA-N
XLogP2.17
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-pyrrolidin-1-ylpropyl)-3,4-dihydroisoquinolin-1-one
CID 115773441
2-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydroisoquinolin-1-one
CID 115873461
1-[2-(azepan-1-yl)ethyl]-2,3-dihydroindole
CID 54806650
2-[2-(azepan-1-yl)-2-oxoethyl]-3,4-dihydroisoquinolin-1-one
CID 104501276
6-bromo-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one;ethane
CID 143778307
2-nonyl-3,4-dihydroisoquinolin-1-one
CID 104501189
2-[2-(1-methylpiperidin-2-yl)ethyl]-3,4-dihydroisoquinolin-1-one
CID 107914190
2-(2-sulfanylethyl)-4,5-dihydro-3H-2-benzazepin-1-one
CID 104526917
2-(4,4-dimethylpentyl)-3,4-dihydroisoquinolin-1-one
CID 114210266
6-(benzimidazol-1-yl)-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one
CID 25217064
2-(cyclopropylmethyl)-3,4-dihydroisoquinolin-1-one
CID 70927083
2-(2-methylpropyl)-3,4-dihydroisoquinolin-1-one
CID 20772326

Frequently Asked Questions

What is the IUPAC name of 2-(2-piperidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 2-(2-piperidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one (CID 115773461) is 2-(2-piperidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 2-(2-piperidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 2-(2-piperidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one is O=C1c2ccccc2CCN1CCN1CCCCC1.
What is the InChIKey of 2-(2-piperidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one?
The InChIKey is UHZRSPPWZGOWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c19-16-15-7-3-2-6-14(15)8-11-18(16)13-12-17-9-4-1-5-10-17/h2-3,6-7H,1,4-5,8-13H2.
What are the key properties of 2-(2-piperidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one?
2-(2-piperidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one has a molecular weight of 258.36 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 115773461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).