6-amino-2-piperidin-4-ylbenzo[de]isoquinoline-1,3-dione

C17H17N3O2 — CID 19769415

IUPAC6-amino-2-piperidin-4-ylbenzo[de]isoquinoline-1,3-dione
SMILESNc1ccc2c3c(cccc13)C(=O)N(C1CCNCC1)C2=O
InChIInChI=1S/C17H17N3O2/c18-14-5-4-13-15-11(14)2-1-3-12(15)16(21)20(17(13)22)10-6-8-19-9-7-10/h1-5,10,19H,6-9,18H2
InChIKeySUXFBGXOCJBUEI-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.77
Rot. Bonds1

About 6-amino-2-piperidin-4-ylbenzo[de]isoquinoline-1,3-dione

6-amino-2-piperidin-4-ylbenzo[de]isoquinoline-1,3-dione (PubChem CID 19769415) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 6-amino-2-piperidin-4-ylbenzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name6-amino-2-piperidin-4-ylbenzo[de]isoquinoline-1,3-dione
PubChem CID19769415
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name6-amino-2-piperidin-4-ylbenzo[de]isoquinoline-1,3-dione
SMILESNc1ccc2c3c(cccc13)C(=O)N(C1CCNCC1)C2=O
InChIInChI=1S/C17H17N3O2/c18-14-5-4-13-15-11(14)2-1-3-12(15)16(21)20(17(13)22)10-6-8-19-9-7-10/h1-5,10,19H,6-9,18H2
InChIKeySUXFBGXOCJBUEI-UHFFFAOYSA-N
XLogP1.77
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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
Grl-0617
CID 24941262
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
1H-benzo[de]isoquinoline-1,3(2H)-dione, 16
CID 11604802
5-(acetylamino)-2-methyl-N-[(1R)-1-(1-naphthalenyl)ethyl]benzamide
CID 44235889
SARS-CoV-2 PLpro Inhibitor, 6
CID 156907148

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-piperidin-4-ylbenzo[de]isoquinoline-1,3-dione?
The IUPAC name of 6-amino-2-piperidin-4-ylbenzo[de]isoquinoline-1,3-dione (CID 19769415) is 6-amino-2-piperidin-4-ylbenzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 6-amino-2-piperidin-4-ylbenzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 6-amino-2-piperidin-4-ylbenzo[de]isoquinoline-1,3-dione is Nc1ccc2c3c(cccc13)C(=O)N(C1CCNCC1)C2=O.
What is the InChIKey of 6-amino-2-piperidin-4-ylbenzo[de]isoquinoline-1,3-dione?
The InChIKey is SUXFBGXOCJBUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c18-14-5-4-13-15-11(14)2-1-3-12(15)16(21)20(17(13)22)10-6-8-19-9-7-10/h1-5,10,19H,6-9,18H2.
What are the key properties of 6-amino-2-piperidin-4-ylbenzo[de]isoquinoline-1,3-dione?
6-amino-2-piperidin-4-ylbenzo[de]isoquinoline-1,3-dione has a molecular weight of 295.34 g/mol, XLogP of 1.77, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-piperidin-4-ylbenzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 19769415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).