2-(2-phenylethyl)-6-piperidin-1-ylbenzo[de]isoquinoline-1,3-dione

C25H24N2O2 — CID 15374734

IUPAC2-(2-phenylethyl)-6-piperidin-1-ylbenzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3c(N4CCCCC4)ccc(c23)C(=O)N1CCc1ccccc1
InChIInChI=1S/C25H24N2O2/c28-24-20-11-7-10-19-22(26-15-5-2-6-16-26)13-12-21(23(19)20)25(29)27(24)17-14-18-8-3-1-4-9-18/h1,3-4,7-13H,2,5-6,14-17H2
InChIKeyMKDKLHIWZMIZBS-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.67
Rot. Bonds4

About 2-(2-phenylethyl)-6-piperidin-1-ylbenzo[de]isoquinoline-1,3-dione

2-(2-phenylethyl)-6-piperidin-1-ylbenzo[de]isoquinoline-1,3-dione (PubChem CID 15374734) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-(2-phenylethyl)-6-piperidin-1-ylbenzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-(2-phenylethyl)-6-piperidin-1-ylbenzo[de]isoquinoline-1,3-dione
PubChem CID15374734
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Name2-(2-phenylethyl)-6-piperidin-1-ylbenzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3c(N4CCCCC4)ccc(c23)C(=O)N1CCc1ccccc1
InChIInChI=1S/C25H24N2O2/c28-24-20-11-7-10-19-22(26-15-5-2-6-16-26)13-12-21(23(19)20)25(29)27(24)17-14-18-8-3-1-4-9-18/h1,3-4,7-13H,2,5-6,14-17H2
InChIKeyMKDKLHIWZMIZBS-UHFFFAOYSA-N
XLogP4.67
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-(2-phenylethyl)-6-piperidin-1-ylbenzo[de]isoquinoline-1,3-dione with MolForge

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Related Compounds

6-(azetidin-1-yl)-2-[2-(2,5-dioxopyrrol-1-yl)ethyl]benzo[de]isoquinoline-1,3-dione
CID 171716666
1-(cyclobutylmethyl)-6-[4-(2-phenylethyl)-1,4-diazepan-1-yl]benzo[cd]indol-2-one
CID 10455885
6-[4-(2-phenylethyl)-1,4-diazepan-1-yl]-1-prop-2-enylbenzo[cd]indol-2-one
CID 18758140
2-[2-[3-[2-(6-morpholin-4-yl-1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propylamino]ethyl]-6-piperidin-1-ylbenzo[de]isoquinoline-1,3-dione
CID 89343143
6-(1,3-dioxo-6-piperidin-1-ylbenzo[de]isoquinolin-2-yl)-13-octyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 100939132
benzyl 2-[4-[2-oxo-1-(2-phenylethyl)benzo[cd]indol-6-yl]-1,4-diazepan-1-yl]acetate
CID 10324363
8-[1,3-dioxo-2-(2-phenylethyl)benzo[de]isoquinolin-6-yl]-3-(2-phenylethyl)-3,7-diazatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione
CID 166048043
2-[[2-[[2-[6-(azocan-1-yl)-1,3-dioxobenzo[de]isoquinolin-2-yl]acetyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
CID 134276516
2-[9-benzyl-6-(1,3-dioxo-6-piperidin-1-ylbenzo[de]isoquinolin-2-yl)carbazol-3-yl]-6-piperidin-1-ylbenzo[de]isoquinoline-1,3-dione
CID 101223130
8-pyrrolidin-1-yl-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione
CID 15538594
2-(1,3-dioxo-6-piperidin-1-ylbenzo[de]isoquinolin-2-yl)ethyl pentanoate
CID 3392794
2-(1,3-dioxo-6-piperidin-1-ylbenzo[de]isoquinolin-2-yl)ethyl thiophene-2-carboxylate
CID 4138512

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethyl)-6-piperidin-1-ylbenzo[de]isoquinoline-1,3-dione?
The IUPAC name of 2-(2-phenylethyl)-6-piperidin-1-ylbenzo[de]isoquinoline-1,3-dione (CID 15374734) is 2-(2-phenylethyl)-6-piperidin-1-ylbenzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 2-(2-phenylethyl)-6-piperidin-1-ylbenzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 2-(2-phenylethyl)-6-piperidin-1-ylbenzo[de]isoquinoline-1,3-dione is O=C1c2cccc3c(N4CCCCC4)ccc(c23)C(=O)N1CCc1ccccc1.
What is the InChIKey of 2-(2-phenylethyl)-6-piperidin-1-ylbenzo[de]isoquinoline-1,3-dione?
The InChIKey is MKDKLHIWZMIZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c28-24-20-11-7-10-19-22(26-15-5-2-6-16-26)13-12-21(23(19)20)25(29)27(24)17-14-18-8-3-1-4-9-18/h1,3-4,7-13H,2,5-6,14-17H2.
What are the key properties of 2-(2-phenylethyl)-6-piperidin-1-ylbenzo[de]isoquinoline-1,3-dione?
2-(2-phenylethyl)-6-piperidin-1-ylbenzo[de]isoquinoline-1,3-dione has a molecular weight of 384.48 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethyl)-6-piperidin-1-ylbenzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 15374734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).