1-(4-cyclobutylpiperazin-1-yl)-2-(6-cyclopentyloxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone

C24H35N3O2 — CID 24751227

IUPAC1-(4-cyclobutylpiperazin-1-yl)-2-(6-cyclopentyloxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
SMILESO=C(CN1CCc2cc(OC3CCCC3)ccc2C1)N1CCN(C2CCC2)CC1
InChIInChI=1S/C24H35N3O2/c28-24(27-14-12-26(13-15-27)21-4-3-5-21)18-25-11-10-19-16-23(9-8-20(19)17-25)29-22-6-1-2-7-22/h8-9,16,21-22H,1-7,10-15,17-18H2
InChIKeyXLJDWCYOJZKVBZ-UHFFFAOYSA-N
MW397.56 g/mol
LogP3.06
Rot. Bonds5

About 1-(4-cyclobutylpiperazin-1-yl)-2-(6-cyclopentyloxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone

1-(4-cyclobutylpiperazin-1-yl)-2-(6-cyclopentyloxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone (PubChem CID 24751227) has the molecular formula C24H35N3O2 and a molecular weight of 397.56 g/mol. Its IUPAC name is 1-(4-cyclobutylpiperazin-1-yl)-2-(6-cyclopentyloxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-cyclobutylpiperazin-1-yl)-2-(6-cyclopentyloxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
PubChem CID24751227
Molecular FormulaC24H35N3O2
Molecular Weight397.56 g/mol
Exact Mass397.27
IUPAC Name1-(4-cyclobutylpiperazin-1-yl)-2-(6-cyclopentyloxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
SMILESO=C(CN1CCc2cc(OC3CCCC3)ccc2C1)N1CCN(C2CCC2)CC1
InChIInChI=1S/C24H35N3O2/c28-24(27-14-12-26(13-15-27)21-4-3-5-21)18-25-11-10-19-16-23(9-8-20(19)17-25)29-22-6-1-2-7-22/h8-9,16,21-22H,1-7,10-15,17-18H2
InChIKeyXLJDWCYOJZKVBZ-UHFFFAOYSA-N
XLogP3.06
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.56
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-cyclobutylpiperazin-1-yl)-2-(6-cyclopentyloxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone with MolForge

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Related Compounds

2-Ethyl-6-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydroisoquinoline
CID 9951524
2-Isopropyl-7-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydroisoquinoline
CID 44412650
6-(1-Propan-2-ylpiperidin-4-yl)oxy-2-(1-propan-2-ylpyrrolidin-3-yl)-3,4-dihydroisoquinolin-1-one
CID 127036598
1-(4-(3-(4-(4-Methoxyphenyl)-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yloxy)propyl)piperazin-1-yl)ethanone
CID 11546625
1-(4-(3-(4-(4-Methoxyphenyl)-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yloxy)propyl)piperazin-1-yl)-2-methylpropan-1-one
CID 11648391
1-[1-(3,4-Diethoxy-benzyl)-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-(4-methyl-piperazin-1-yl)-eth anone
CID 16682457
2-acetyl-N-[2-[di(propan-2-yl)amino]ethyl]-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 44391028
1-(7-(3-(piperidin-1-yl)propoxy)-3,4-dihydroisoquinolin-2(1H)-yl)ethanone
CID 44412699
2-(Cyclohexylmethyl)-6-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydroisoquinoline
CID 44412800
1-(1-cyclohexyl-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[(2R)-2-hydroxypropyl]amino]ethanone
CID 59396273
(R)-2-[6-(3-fluorobenzyloxy)-3,4-dihydro-1H-isoquinolin-2-yl]-propionamide
CID 23625350
(S)-2-[6-(3-fluorobenzyloxy)-3,4-dihydro-1H-isoquinolin-2-yl]propionamide
CID 23625508

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylpiperazin-1-yl)-2-(6-cyclopentyloxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone?
The IUPAC name of 1-(4-cyclobutylpiperazin-1-yl)-2-(6-cyclopentyloxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone (CID 24751227) is 1-(4-cyclobutylpiperazin-1-yl)-2-(6-cyclopentyloxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone.
What is the SMILES notation for 1-(4-cyclobutylpiperazin-1-yl)-2-(6-cyclopentyloxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone?
The canonical SMILES for 1-(4-cyclobutylpiperazin-1-yl)-2-(6-cyclopentyloxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone is O=C(CN1CCc2cc(OC3CCCC3)ccc2C1)N1CCN(C2CCC2)CC1.
What is the InChIKey of 1-(4-cyclobutylpiperazin-1-yl)-2-(6-cyclopentyloxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone?
The InChIKey is XLJDWCYOJZKVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O2/c28-24(27-14-12-26(13-15-27)21-4-3-5-21)18-25-11-10-19-16-23(9-8-20(19)17-25)29-22-6-1-2-7-22/h8-9,16,21-22H,1-7,10-15,17-18H2.
What are the key properties of 1-(4-cyclobutylpiperazin-1-yl)-2-(6-cyclopentyloxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone?
1-(4-cyclobutylpiperazin-1-yl)-2-(6-cyclopentyloxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone has a molecular weight of 397.56 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutylpiperazin-1-yl)-2-(6-cyclopentyloxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone is sourced from PubChem (CID 24751227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).