1-(5-amino-2-methylphenyl)piperidine-2,6-dione

C12H14N2O2 — CID 28930804

IUPAC1-(5-amino-2-methylphenyl)piperidine-2,6-dione
SMILESCc1ccc(N)cc1N1C(=O)CCCC1=O
InChIInChI=1S/C12H14N2O2/c1-8-5-6-9(13)7-10(8)14-11(15)3-2-4-12(14)16/h5-7H,2-4,13H2,1H3
InChIKeyNIQHACPVVSLTCQ-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.62
Rot. Bonds1

About 1-(5-amino-2-methylphenyl)piperidine-2,6-dione

1-(5-amino-2-methylphenyl)piperidine-2,6-dione (PubChem CID 28930804) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-(5-amino-2-methylphenyl)piperidine-2,6-dione.

Molecular Properties

Compound Name1-(5-amino-2-methylphenyl)piperidine-2,6-dione
PubChem CID28930804
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name1-(5-amino-2-methylphenyl)piperidine-2,6-dione
SMILESCc1ccc(N)cc1N1C(=O)CCCC1=O
InChIInChI=1S/C12H14N2O2/c1-8-5-6-9(13)7-10(8)14-11(15)3-2-4-12(14)16/h5-7H,2-4,13H2,1H3
InChIKeyNIQHACPVVSLTCQ-UHFFFAOYSA-N
XLogP1.62
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-bromo-2-methylphenyl)piperidine-2,6-dione
CID 43806726
1-(4-amino-2,5-dimethylphenyl)azepane-2,7-dione
CID 103145261
1-(4-amino-2-methoxyphenyl)azepane-2,7-dione
CID 43382567
1-(5-amino-2-methylphenyl)-1,3-diazinane-2,4-dione;hydrochloride
CID 171705611
1-(3-amino-4-methylphenyl)azepane-2,7-dione
CID 43446686
1-(4-amino-2-methylphenyl)piperidin-2-one;ethane
CID 142825432
1-(5-amino-2-methylphenyl)-3-methylimidazolidin-2-one
CID 82512426
3-(2,5-dioxopyrrolidin-1-yl)-4-methylbenzonitrile
CID 55211446
5-(5-amino-2-methylphenyl)thieno[2,3-c]pyrrole-4,6-dione
CID 86734765
1-(2-amino-4,5-dimethylphenyl)pyrrolidine-2,5-dione
CID 62100322
4-(aminomethyl)-1-(5-amino-2-methylphenyl)pyrrolidin-2-one
CID 168659847
1-(5-amino-2-methylphenyl)-4-ethenylpyrrolidin-2-one
CID 168684817

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-methylphenyl)piperidine-2,6-dione?
The IUPAC name of 1-(5-amino-2-methylphenyl)piperidine-2,6-dione (CID 28930804) is 1-(5-amino-2-methylphenyl)piperidine-2,6-dione.
What is the SMILES notation for 1-(5-amino-2-methylphenyl)piperidine-2,6-dione?
The canonical SMILES for 1-(5-amino-2-methylphenyl)piperidine-2,6-dione is Cc1ccc(N)cc1N1C(=O)CCCC1=O.
What is the InChIKey of 1-(5-amino-2-methylphenyl)piperidine-2,6-dione?
The InChIKey is NIQHACPVVSLTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-8-5-6-9(13)7-10(8)14-11(15)3-2-4-12(14)16/h5-7H,2-4,13H2,1H3.
What are the key properties of 1-(5-amino-2-methylphenyl)piperidine-2,6-dione?
1-(5-amino-2-methylphenyl)piperidine-2,6-dione has a molecular weight of 218.26 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-methylphenyl)piperidine-2,6-dione is sourced from PubChem (CID 28930804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).