3,3-diethyl-1-(hydroxymethyl)piperidine-2,6-dione

C10H17NO3 — CID 130127887

IUPAC3,3-diethyl-1-(hydroxymethyl)piperidine-2,6-dione
SMILESCCC1(CC)CCC(=O)N(CO)C1=O
InChIInChI=1S/C10H17NO3/c1-3-10(4-2)6-5-8(13)11(7-12)9(10)14/h12H,3-7H2,1-2H3
InChIKeyVTHAGPOYEBHLQJ-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.89
Rot. Bonds3

About 3,3-diethyl-1-(hydroxymethyl)piperidine-2,6-dione

3,3-diethyl-1-(hydroxymethyl)piperidine-2,6-dione (PubChem CID 130127887) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3,3-diethyl-1-(hydroxymethyl)piperidine-2,6-dione.

Molecular Properties

Compound Name3,3-diethyl-1-(hydroxymethyl)piperidine-2,6-dione
PubChem CID130127887
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name3,3-diethyl-1-(hydroxymethyl)piperidine-2,6-dione
SMILESCCC1(CC)CCC(=O)N(CO)C1=O
InChIInChI=1S/C10H17NO3/c1-3-10(4-2)6-5-8(13)11(7-12)9(10)14/h12H,3-7H2,1-2H3
InChIKeyVTHAGPOYEBHLQJ-UHFFFAOYSA-N
XLogP0.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Glutarimide, N,3,3-trimethyl-
CID 91281
4-Ethyl-1,4-dimethyl-2,6-piperidinedione
CID 544425
Glutarimide, N,3-dimethyl-3-hexyl-
CID 97777
Glutarimide, N,3-dimethyl-3-pentyl-
CID 210425
ethyl-N-methylglutarimide
CID 129712295
Glutarimide, N,3-diethyl-3-methyl-
CID 20785752
2,2-Diethyl-N-methylglutarimide
CID 3028426
N,alpha,alpha-Triethylglutarimide
CID 3028446
Glutarimide, 3-butyl-N,3-dimethyl-
CID 24838455
Glutarimide, 3-butyl-N-ethyl-3-methyl-
CID 24838456
Glutarimide, N,3-dimethyl-3-isopropyl-
CID 24838457
8-(3-Hydroxypropyl)-8-azaspiro[4.5]decane-7,9-dione
CID 3283840

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1-(hydroxymethyl)piperidine-2,6-dione?
The IUPAC name of 3,3-diethyl-1-(hydroxymethyl)piperidine-2,6-dione (CID 130127887) is 3,3-diethyl-1-(hydroxymethyl)piperidine-2,6-dione.
What is the SMILES notation for 3,3-diethyl-1-(hydroxymethyl)piperidine-2,6-dione?
The canonical SMILES for 3,3-diethyl-1-(hydroxymethyl)piperidine-2,6-dione is CCC1(CC)CCC(=O)N(CO)C1=O.
What is the InChIKey of 3,3-diethyl-1-(hydroxymethyl)piperidine-2,6-dione?
The InChIKey is VTHAGPOYEBHLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-3-10(4-2)6-5-8(13)11(7-12)9(10)14/h12H,3-7H2,1-2H3.
What are the key properties of 3,3-diethyl-1-(hydroxymethyl)piperidine-2,6-dione?
3,3-diethyl-1-(hydroxymethyl)piperidine-2,6-dione has a molecular weight of 199.25 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-(hydroxymethyl)piperidine-2,6-dione is sourced from PubChem (CID 130127887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).