N-(1,3-dioxo-6-piperidin-1-ylbenzo[de]isoquinolin-2-yl)acetamide

C19H19N3O3 — CID 5202158

IUPACN-(1,3-dioxo-6-piperidin-1-ylbenzo[de]isoquinolin-2-yl)acetamide
SMILESCC(=O)NN1C(=O)c2cccc3c(N4CCCCC4)ccc(c23)C1=O
InChIInChI=1S/C19H19N3O3/c1-12(23)20-22-18(24)14-7-5-6-13-16(21-10-3-2-4-11-21)9-8-15(17(13)14)19(22)25/h5-9H,2-4,10-11H2,1H3,(H,20,23)
InChIKeyMEADLTHOFHMAIE-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.48
Rot. Bonds2

About N-(1,3-dioxo-6-piperidin-1-ylbenzo[de]isoquinolin-2-yl)acetamide

N-(1,3-dioxo-6-piperidin-1-ylbenzo[de]isoquinolin-2-yl)acetamide (PubChem CID 5202158) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(1,3-dioxo-6-piperidin-1-ylbenzo[de]isoquinolin-2-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-dioxo-6-piperidin-1-ylbenzo[de]isoquinolin-2-yl)acetamide
PubChem CID5202158
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-(1,3-dioxo-6-piperidin-1-ylbenzo[de]isoquinolin-2-yl)acetamide
SMILESCC(=O)NN1C(=O)c2cccc3c(N4CCCCC4)ccc(c23)C1=O
InChIInChI=1S/C19H19N3O3/c1-12(23)20-22-18(24)14-7-5-6-13-16(21-10-3-2-4-11-21)9-8-15(17(13)14)19(22)25/h5-9H,2-4,10-11H2,1H3,(H,20,23)
InChIKeyMEADLTHOFHMAIE-UHFFFAOYSA-N
XLogP2.48
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(1,3-dioxo-6-piperidin-1-ylbenzo[de]isoquinolin-2-yl)acetamide with MolForge

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Related Compounds

Amonafide
CID 50515
4-Amino-1,8-naphthalimide
CID 1720
2-butyl-6-(butylamino)-1H-benzo(de)isoquinoline-1,3(2H)-dione
CID 87935
Solvent Yellow 44
CID 75589
4-Amino-N-phenyl-1,8-naphthalimide
CID 202512
1H-Benz(de)isoquinoline-1,3(2H)-dione, 5-amino-2-(2-(diethylamino)ethyl)-
CID 328773
6-Dimethylamino-2-methyl-benzo[de]isoquinoline-1,3-dione
CID 2849973
2-(3-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)propyl)phenanthridin-6(5H)-one
CID 10216071
Yqnkitkmolerfy-uhfffaoysa-
CID 10501415
2-Methyl-6-methylamino-benzo[de]isoquinoline-1,3-dione
CID 3109741
6-Amino-2-(1-aza-bicyclo[2.2.2]oct-3-yl)-benzo[de]isoquinoline-1,3-dione
CID 9905203
6-Amino-2-ethyl-benzo[de]isoquinoline-1,3-dione
CID 3099740

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxo-6-piperidin-1-ylbenzo[de]isoquinolin-2-yl)acetamide?
The IUPAC name of N-(1,3-dioxo-6-piperidin-1-ylbenzo[de]isoquinolin-2-yl)acetamide (CID 5202158) is N-(1,3-dioxo-6-piperidin-1-ylbenzo[de]isoquinolin-2-yl)acetamide.
What is the SMILES notation for N-(1,3-dioxo-6-piperidin-1-ylbenzo[de]isoquinolin-2-yl)acetamide?
The canonical SMILES for N-(1,3-dioxo-6-piperidin-1-ylbenzo[de]isoquinolin-2-yl)acetamide is CC(=O)NN1C(=O)c2cccc3c(N4CCCCC4)ccc(c23)C1=O.
What is the InChIKey of N-(1,3-dioxo-6-piperidin-1-ylbenzo[de]isoquinolin-2-yl)acetamide?
The InChIKey is MEADLTHOFHMAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-12(23)20-22-18(24)14-7-5-6-13-16(21-10-3-2-4-11-21)9-8-15(17(13)14)19(22)25/h5-9H,2-4,10-11H2,1H3,(H,20,23).
What are the key properties of N-(1,3-dioxo-6-piperidin-1-ylbenzo[de]isoquinolin-2-yl)acetamide?
N-(1,3-dioxo-6-piperidin-1-ylbenzo[de]isoquinolin-2-yl)acetamide has a molecular weight of 337.38 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxo-6-piperidin-1-ylbenzo[de]isoquinolin-2-yl)acetamide is sourced from PubChem (CID 5202158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).