1-amino-3,5-dimethylpiperidine-2,6-dione

C7H12N2O2 — CID 122522116

IUPAC1-amino-3,5-dimethylpiperidine-2,6-dione
SMILESCC1CC(C)C(=O)N(N)C1=O
InChIInChI=1S/C7H12N2O2/c1-4-3-5(2)7(11)9(8)6(4)10/h4-5H,3,8H2,1-2H3
InChIKeyQDFPJLDTAWTWTO-UHFFFAOYSA-N
MW156.18 g/mol
LogP-0.11
Rot. Bonds

About 1-amino-3,5-dimethylpiperidine-2,6-dione

1-amino-3,5-dimethylpiperidine-2,6-dione (PubChem CID 122522116) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 1-amino-3,5-dimethylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-amino-3,5-dimethylpiperidine-2,6-dione
PubChem CID122522116
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name1-amino-3,5-dimethylpiperidine-2,6-dione
SMILESCC1CC(C)C(=O)N(N)C1=O
InChIInChI=1S/C7H12N2O2/c1-4-3-5(2)7(11)9(8)6(4)10/h4-5H,3,8H2,1-2H3
InChIKeyQDFPJLDTAWTWTO-UHFFFAOYSA-N
XLogP-0.11
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S,2R,6R,7S)-4-amino-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
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ethane;1-ethyl-3,5-dimethylpyrrolidin-2-one
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1-ethyl-5-hydroxy-3-methylpyrrolidin-2-one
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4,6-dimethyl-2-methylidenecyclohexane-1,3-dione
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(6S,7aS)-6-methyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
CID 89301068
CID 161390149
CID 161390149
7-methyl-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrimidin-6-one
CID 13092247
methyl (2S)-1,4-dimethyl-5-oxopyrrolidine-2-carboxylate
CID 163762607
1-(3-amino-4-methylphenyl)-3,5-dimethylpyrrolidin-2-one
CID 56983848
1,3-dimethylpyrrolidin-2-one;ethane
CID 142056309
1-hydroxy-2,4-dimethylpyrazolidin-3-one
CID 19914346

Frequently Asked Questions

What is the IUPAC name of 1-amino-3,5-dimethylpiperidine-2,6-dione?
The IUPAC name of 1-amino-3,5-dimethylpiperidine-2,6-dione (CID 122522116) is 1-amino-3,5-dimethylpiperidine-2,6-dione.
What is the SMILES notation for 1-amino-3,5-dimethylpiperidine-2,6-dione?
The canonical SMILES for 1-amino-3,5-dimethylpiperidine-2,6-dione is CC1CC(C)C(=O)N(N)C1=O.
What is the InChIKey of 1-amino-3,5-dimethylpiperidine-2,6-dione?
The InChIKey is QDFPJLDTAWTWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-4-3-5(2)7(11)9(8)6(4)10/h4-5H,3,8H2,1-2H3.
What are the key properties of 1-amino-3,5-dimethylpiperidine-2,6-dione?
1-amino-3,5-dimethylpiperidine-2,6-dione has a molecular weight of 156.18 g/mol, XLogP of -0.11, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3,5-dimethylpiperidine-2,6-dione is sourced from PubChem (CID 122522116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).