3-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)piperidine-2,6-dione

C15H19N3O2 — CID 103982382

IUPAC3-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)piperidine-2,6-dione
SMILESO=C1CCC(NC2CCNCc3ccccc32)C(=O)N1
InChIInChI=1S/C15H19N3O2/c19-14-6-5-13(15(20)18-14)17-12-7-8-16-9-10-3-1-2-4-11(10)12/h1-4,12-13,16-17H,5-9H2,(H,18,19,20)
InChIKeyOQVVSMNRBMINIV-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.62
Rot. Bonds2

About 3-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)piperidine-2,6-dione

3-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)piperidine-2,6-dione (PubChem CID 103982382) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)piperidine-2,6-dione
PubChem CID103982382
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)piperidine-2,6-dione
SMILESO=C1CCC(NC2CCNCc3ccccc32)C(=O)N1
InChIInChI=1S/C15H19N3O2/c19-14-6-5-13(15(20)18-14)17-12-7-8-16-9-10-3-1-2-4-11(10)12/h1-4,12-13,16-17H,5-9H2,(H,18,19,20)
InChIKeyOQVVSMNRBMINIV-UHFFFAOYSA-N
XLogP0.62
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)azepan-2-one
CID 103981131
N-(2,2-dimethylcyclopropyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 113361558
N-cycloheptyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980640
N-(oxolan-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103982525
3-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)cyclobutan-1-ol
CID 103982387
N-(oxan-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103982134
N-(2-methylcyclohexyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980528
N-(2,3-dimethylcyclohexyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980585
(3S)-3-(2,3-dihydro-1H-inden-1-ylmethylamino)piperidine-2,6-dione
CID 154967466
(1R)-N-(2,6-dioxopiperidin-3-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 142535910
N-(2-chlorophenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980517
(3S)-3-(4-piperidin-4-ylanilino)piperidine-2,6-dione
CID 166899562

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)piperidine-2,6-dione?
The IUPAC name of 3-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)piperidine-2,6-dione (CID 103982382) is 3-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)piperidine-2,6-dione.
What is the SMILES notation for 3-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)piperidine-2,6-dione?
The canonical SMILES for 3-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)piperidine-2,6-dione is O=C1CCC(NC2CCNCc3ccccc32)C(=O)N1.
What is the InChIKey of 3-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)piperidine-2,6-dione?
The InChIKey is OQVVSMNRBMINIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c19-14-6-5-13(15(20)18-14)17-12-7-8-16-9-10-3-1-2-4-11(10)12/h1-4,12-13,16-17H,5-9H2,(H,18,19,20).
What are the key properties of 3-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)piperidine-2,6-dione?
3-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)piperidine-2,6-dione has a molecular weight of 273.34 g/mol, XLogP of 0.62, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)piperidine-2,6-dione is sourced from PubChem (CID 103982382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).