4-methyl-1-piperidin-1-ylpentane-1,2-dione

C11H19NO2 — CID 86093438

IUPAC4-methyl-1-piperidin-1-ylpentane-1,2-dione
SMILESCC(C)CC(=O)C(=O)N1CCCCC1
InChIInChI=1S/C11H19NO2/c1-9(2)8-10(13)11(14)12-6-4-3-5-7-12/h9H,3-8H2,1-2H3
InChIKeyFROWKIBRHOUKCE-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.61
Rot. Bonds3

About 4-methyl-1-piperidin-1-ylpentane-1,2-dione

4-methyl-1-piperidin-1-ylpentane-1,2-dione (PubChem CID 86093438) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 4-methyl-1-piperidin-1-ylpentane-1,2-dione.

Molecular Properties

Compound Name4-methyl-1-piperidin-1-ylpentane-1,2-dione
PubChem CID86093438
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name4-methyl-1-piperidin-1-ylpentane-1,2-dione
SMILESCC(C)CC(=O)C(=O)N1CCCCC1
InChIInChI=1S/C11H19NO2/c1-9(2)8-10(13)11(14)12-6-4-3-5-7-12/h9H,3-8H2,1-2H3
InChIKeyFROWKIBRHOUKCE-UHFFFAOYSA-N
XLogP1.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4-Diacetylpiperidine
CID 2777250
1-(3-Methylpiperidin-1-yl)pentan-1-one
CID 303144
Piperidine, 1-(3-oxo-2,2,4-trimethylvaleryl)-
CID 99355
1,5-Dimethyl-2,4-piperidinedione
CID 13983069
Tert-butyl 3-methyl-5-oxopiperidine-1-carboxylate
CID 83679911
1-(3,5-Dimethylpiperidyl)-2-methylpentan-1-one
CID 2904846
3-Methyl-1-(1-piperidinyl)-1-butanone
CID 4075318
1,2-Propanedione, 1-(1-piperidinyl)-
CID 13011877
1-(4-Tert-butylpiperidin-1-yl)propane-1,2-dione
CID 13662398
1-(4-Acetylpiperazin-1-yl)-4-methylpentan-1-one
CID 40233421
1-(3-Methylpiperidin-1-yl)butane-1,3-dione
CID 296334
1-Acetoacetyl-4-Methylpiperidine
CID 296335

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-piperidin-1-ylpentane-1,2-dione?
The IUPAC name of 4-methyl-1-piperidin-1-ylpentane-1,2-dione (CID 86093438) is 4-methyl-1-piperidin-1-ylpentane-1,2-dione.
What is the SMILES notation for 4-methyl-1-piperidin-1-ylpentane-1,2-dione?
The canonical SMILES for 4-methyl-1-piperidin-1-ylpentane-1,2-dione is CC(C)CC(=O)C(=O)N1CCCCC1.
What is the InChIKey of 4-methyl-1-piperidin-1-ylpentane-1,2-dione?
The InChIKey is FROWKIBRHOUKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-9(2)8-10(13)11(14)12-6-4-3-5-7-12/h9H,3-8H2,1-2H3.
What are the key properties of 4-methyl-1-piperidin-1-ylpentane-1,2-dione?
4-methyl-1-piperidin-1-ylpentane-1,2-dione has a molecular weight of 197.28 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-piperidin-1-ylpentane-1,2-dione is sourced from PubChem (CID 86093438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).