2,4-dimethyl-1-(oxan-3-yl)-6-oxopiperidine-3-carboxylic acid

C13H21NO4 — CID 63361409

IUPAC2,4-dimethyl-1-(oxan-3-yl)-6-oxopiperidine-3-carboxylic acid
SMILESCC1CC(=O)N(C2CCCOC2)C(C)C1C(=O)O
InChIInChI=1S/C13H21NO4/c1-8-6-11(15)14(9(2)12(8)13(16)17)10-4-3-5-18-7-10/h8-10,12H,3-7H2,1-2H3,(H,16,17)
InChIKeyNKDVBDPBJXIXRD-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.12
Rot. Bonds2

About 2,4-dimethyl-1-(oxan-3-yl)-6-oxopiperidine-3-carboxylic acid

2,4-dimethyl-1-(oxan-3-yl)-6-oxopiperidine-3-carboxylic acid (PubChem CID 63361409) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 2,4-dimethyl-1-(oxan-3-yl)-6-oxopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name2,4-dimethyl-1-(oxan-3-yl)-6-oxopiperidine-3-carboxylic acid
PubChem CID63361409
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name2,4-dimethyl-1-(oxan-3-yl)-6-oxopiperidine-3-carboxylic acid
SMILESCC1CC(=O)N(C2CCCOC2)C(C)C1C(=O)O
InChIInChI=1S/C13H21NO4/c1-8-6-11(15)14(9(2)12(8)13(16)17)10-4-3-5-18-7-10/h8-10,12H,3-7H2,1-2H3,(H,16,17)
InChIKeyNKDVBDPBJXIXRD-UHFFFAOYSA-N
XLogP1.12
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethyl-6-oxo-1-(4-propylcyclohexyl)piperidine-3-carboxylic acid
CID 62303078
1-(3-ethyl-2-methylcyclopentyl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
CID 64916058
2,4-dimethyl-6-oxo-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylic acid
CID 55057513
1-(1-amino-2-methyl-1-oxopropan-2-yl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
CID 62303080
5-methyl-2-(2-methylpropyl)-3-(oxan-3-yl)imidazolidin-4-one
CID 83263881
2,4-dimethyl-6-oxo-1-(2-piperidin-1-ylethyl)piperidine-3-carboxylic acid
CID 62303069
2,4-dimethyl-6-oxo-1-pentylpiperidine-3-carboxylic acid
CID 55057746
1-[2-[cyclopentyl(methyl)amino]ethyl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
CID 63316003
5-butan-2-yl-2-methyl-3-(oxan-3-yl)imidazolidin-4-one
CID 83264762
1-[(3-methoxyoxolan-3-yl)methyl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
CID 104765879
2,4-dimethyl-1-(4-methylpentan-2-yl)-6-oxopiperidine-3-carboxylic acid
CID 62303047
1-(oxan-3-yl)piperazine-2,5-dione
CID 64955997

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-(oxan-3-yl)-6-oxopiperidine-3-carboxylic acid?
The IUPAC name of 2,4-dimethyl-1-(oxan-3-yl)-6-oxopiperidine-3-carboxylic acid (CID 63361409) is 2,4-dimethyl-1-(oxan-3-yl)-6-oxopiperidine-3-carboxylic acid.
What is the SMILES notation for 2,4-dimethyl-1-(oxan-3-yl)-6-oxopiperidine-3-carboxylic acid?
The canonical SMILES for 2,4-dimethyl-1-(oxan-3-yl)-6-oxopiperidine-3-carboxylic acid is CC1CC(=O)N(C2CCCOC2)C(C)C1C(=O)O.
What is the InChIKey of 2,4-dimethyl-1-(oxan-3-yl)-6-oxopiperidine-3-carboxylic acid?
The InChIKey is NKDVBDPBJXIXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-8-6-11(15)14(9(2)12(8)13(16)17)10-4-3-5-18-7-10/h8-10,12H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 2,4-dimethyl-1-(oxan-3-yl)-6-oxopiperidine-3-carboxylic acid?
2,4-dimethyl-1-(oxan-3-yl)-6-oxopiperidine-3-carboxylic acid has a molecular weight of 255.31 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-(oxan-3-yl)-6-oxopiperidine-3-carboxylic acid is sourced from PubChem (CID 63361409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).