1-(4-methylpentan-2-yl)piperidine-2,4-dione

C11H19NO2 — CID 79515592

IUPAC1-(4-methylpentan-2-yl)piperidine-2,4-dione
SMILESCC(C)CC(C)N1CCC(=O)CC1=O
InChIInChI=1S/C11H19NO2/c1-8(2)6-9(3)12-5-4-10(13)7-11(12)14/h8-9H,4-7H2,1-3H3
InChIKeyYCUPCDQQYAZZNO-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.61
Rot. Bonds3

About 1-(4-methylpentan-2-yl)piperidine-2,4-dione

1-(4-methylpentan-2-yl)piperidine-2,4-dione (PubChem CID 79515592) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(4-methylpentan-2-yl)piperidine-2,4-dione.

Molecular Properties

Compound Name1-(4-methylpentan-2-yl)piperidine-2,4-dione
PubChem CID79515592
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-(4-methylpentan-2-yl)piperidine-2,4-dione
SMILESCC(C)CC(C)N1CCC(=O)CC1=O
InChIInChI=1S/C11H19NO2/c1-8(2)6-9(3)12-5-4-10(13)7-11(12)14/h8-9H,4-7H2,1-3H3
InChIKeyYCUPCDQQYAZZNO-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': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

Piperidine, 1-(3-oxo-2,2,4-trimethylvaleryl)-
CID 99355
1-(Tert-butyl)piperidine-2,4-dione
CID 53416068
1-Cyclohexylpiperidine-2,4-dione
CID 10703011
1,5-Dimethyl-2,4-piperidinedione
CID 13983069
1-(3-Methylpiperidin-1-yl)butane-1,3-dione
CID 296334
1-Acetoacetyl-4-Methylpiperidine
CID 296335
Dimethyl-2,4-piperidindion
CID 19756877
N-methyl-N-[1-(4-methylpentanoyl)piperidin-4-yl]acetamide
CID 60590068
1-Acetoacetyl-2-Methylpiperidine
CID 296333
3,3-Diethyl-1-methylpiperidine-2,4-dione
CID 21448652
3,3-Diethyl-1,5-dimethylpiperidine-2,4-dione
CID 154125382
1-Acetyl-2,5-dimethyl-4-piperidone
CID 12273617

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpentan-2-yl)piperidine-2,4-dione?
The IUPAC name of 1-(4-methylpentan-2-yl)piperidine-2,4-dione (CID 79515592) is 1-(4-methylpentan-2-yl)piperidine-2,4-dione.
What is the SMILES notation for 1-(4-methylpentan-2-yl)piperidine-2,4-dione?
The canonical SMILES for 1-(4-methylpentan-2-yl)piperidine-2,4-dione is CC(C)CC(C)N1CCC(=O)CC1=O.
What is the InChIKey of 1-(4-methylpentan-2-yl)piperidine-2,4-dione?
The InChIKey is YCUPCDQQYAZZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-8(2)6-9(3)12-5-4-10(13)7-11(12)14/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-(4-methylpentan-2-yl)piperidine-2,4-dione?
1-(4-methylpentan-2-yl)piperidine-2,4-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 1-(4-methylpentan-2-yl)piperidine-2,4-dione is sourced from PubChem (CID 79515592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).