3-[2-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)ethyl]piperidine-2,6-dione

C17H19NO3 — CID 91165365

IUPAC3-[2-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)ethyl]piperidine-2,6-dione
SMILESO=C1CCC(CCC2CCc3ccccc3C2=O)C(=O)N1
InChIInChI=1S/C17H19NO3/c19-15-10-9-13(17(21)18-15)8-7-12-6-5-11-3-1-2-4-14(11)16(12)20/h1-4,12-13H,5-10H2,(H,18,19,21)
InChIKeyVEHDHNZMHJAWEG-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.26
Rot. Bonds3

About 3-[2-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)ethyl]piperidine-2,6-dione

3-[2-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)ethyl]piperidine-2,6-dione (PubChem CID 91165365) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 3-[2-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)ethyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[2-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)ethyl]piperidine-2,6-dione
PubChem CID91165365
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name3-[2-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)ethyl]piperidine-2,6-dione
SMILESO=C1CCC(CCC2CCc3ccccc3C2=O)C(=O)N1
InChIInChI=1S/C17H19NO3/c19-15-10-9-13(17(21)18-15)8-7-12-6-5-11-3-1-2-4-14(11)16(12)20/h1-4,12-13H,5-10H2,(H,18,19,21)
InChIKeyVEHDHNZMHJAWEG-UHFFFAOYSA-N
XLogP2.26
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2,6-dioxopiperidin-3-yl)ethyl]piperidine-2,6-dione
CID 54373582
2-propyl-3,4-dihydro-2H-naphthalen-1-one
CID 10877906
2-(3-hydroxypropyl)-3,4-dihydro-2H-naphthalen-1-one
CID 79429583
2-(cyclopropylmethyl)-3,4-dihydro-2H-naphthalen-1-one
CID 79429212
6-(2-cyclopropylethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 79429311
6-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)hexanoic acid
CID 18623264
(2R)-2-(2-methylpropyl)-3,4-dihydro-2H-naphthalen-1-one
CID 14921451
3-[2-[6-[1-(2,2-difluoropropyl)-5-phenylpyrazol-4-yl]-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]ethyl]piperidine-2,6-dione
CID 171075022
3-[(6-bromo-3-oxo-1,2-dihydroinden-2-yl)methyl]piperidine-2,6-dione
CID 174277389
2-[3-(2-methoxyethoxy)propyl]-3,4-dihydro-2H-naphthalen-1-one
CID 103410639
2-(2-pyridin-3-ylethyl)-3,4-dihydro-2H-naphthalen-1-one
CID 79429581
(2S)-2-[(2-sulfanylideneimidazolidin-4-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one
CID 88917642

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)ethyl]piperidine-2,6-dione?
The IUPAC name of 3-[2-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)ethyl]piperidine-2,6-dione (CID 91165365) is 3-[2-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)ethyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[2-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)ethyl]piperidine-2,6-dione?
The canonical SMILES for 3-[2-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)ethyl]piperidine-2,6-dione is O=C1CCC(CCC2CCc3ccccc3C2=O)C(=O)N1.
What is the InChIKey of 3-[2-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)ethyl]piperidine-2,6-dione?
The InChIKey is VEHDHNZMHJAWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c19-15-10-9-13(17(21)18-15)8-7-12-6-5-11-3-1-2-4-14(11)16(12)20/h1-4,12-13H,5-10H2,(H,18,19,21).
What are the key properties of 3-[2-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)ethyl]piperidine-2,6-dione?
3-[2-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)ethyl]piperidine-2,6-dione has a molecular weight of 285.34 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)ethyl]piperidine-2,6-dione is sourced from PubChem (CID 91165365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).