5,5-dimethyl-1-piperidin-1-ylhexane-1,2,4-trione

C13H21NO3 — CID 15702286

IUPAC5,5-dimethyl-1-piperidin-1-ylhexane-1,2,4-trione
SMILESCC(C)(C)C(=O)CC(=O)C(=O)N1CCCCC1
InChIInChI=1S/C13H21NO3/c1-13(2,3)11(16)9-10(15)12(17)14-7-5-4-6-8-14/h4-9H2,1-3H3
InChIKeyGMJJFABMPAEBLK-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.57
Rot. Bonds3

About 5,5-dimethyl-1-piperidin-1-ylhexane-1,2,4-trione

5,5-dimethyl-1-piperidin-1-ylhexane-1,2,4-trione (PubChem CID 15702286) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 5,5-dimethyl-1-piperidin-1-ylhexane-1,2,4-trione.

Molecular Properties

Compound Name5,5-dimethyl-1-piperidin-1-ylhexane-1,2,4-trione
PubChem CID15702286
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name5,5-dimethyl-1-piperidin-1-ylhexane-1,2,4-trione
SMILESCC(C)(C)C(=O)CC(=O)C(=O)N1CCCCC1
InChIInChI=1S/C13H21NO3/c1-13(2,3)11(16)9-10(15)12(17)14-7-5-4-6-8-14/h4-9H2,1-3H3
InChIKeyGMJJFABMPAEBLK-UHFFFAOYSA-N
XLogP1.57
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

Piperidine, 1-(3-oxo-2,2,4-trimethylvaleryl)-
CID 99355
7-Acetyl-7-azaspiro[3.5]nonane-1,3-dione
CID 21919656
N,N-Dibutyl-3-methyl-2,4-dioxohexanamide
CID 360660
7-Acetyl-7-azaspiro[3.5]nonan-3-one
CID 12303411
3,3-Diethyl-1-methylpiperidine-2,4-dione
CID 21448652
5,5-Dimethyl-1-morpholin-4-ylhexane-1,2,4-trione
CID 10857628
N,N-diethylpivaloylpyruvamide
CID 10966235
4,4-Dimethyl-1-piperidin-1-ylpentane-1,3-dione
CID 85853391
4-Methyl-1-piperidin-1-ylpentane-1,2-dione
CID 86093438
3,5,5-Dimethyl-1-(4-methylpiperazine-1-yl)hexane-1,2,4-trione
CID 129859830
4,4-Dimethyl-1-piperidin-1-ylpentane-1,2,3-trione
CID 134987969
Yzzqsansdxdbic-uhfffaoysa-
CID 12935842

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1-piperidin-1-ylhexane-1,2,4-trione?
The IUPAC name of 5,5-dimethyl-1-piperidin-1-ylhexane-1,2,4-trione (CID 15702286) is 5,5-dimethyl-1-piperidin-1-ylhexane-1,2,4-trione.
What is the SMILES notation for 5,5-dimethyl-1-piperidin-1-ylhexane-1,2,4-trione?
The canonical SMILES for 5,5-dimethyl-1-piperidin-1-ylhexane-1,2,4-trione is CC(C)(C)C(=O)CC(=O)C(=O)N1CCCCC1.
What is the InChIKey of 5,5-dimethyl-1-piperidin-1-ylhexane-1,2,4-trione?
The InChIKey is GMJJFABMPAEBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-13(2,3)11(16)9-10(15)12(17)14-7-5-4-6-8-14/h4-9H2,1-3H3.
What are the key properties of 5,5-dimethyl-1-piperidin-1-ylhexane-1,2,4-trione?
5,5-dimethyl-1-piperidin-1-ylhexane-1,2,4-trione has a molecular weight of 239.31 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1-piperidin-1-ylhexane-1,2,4-trione is sourced from PubChem (CID 15702286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).