1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid

C16H28N2O3 — CID 104598886

IUPAC1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid
SMILESCC1CCCC(C)N1C(=O)CN1CCCCC1(C)C(=O)O
InChIInChI=1S/C16H28N2O3/c1-12-7-6-8-13(2)18(12)14(19)11-17-10-5-4-9-16(17,3)15(20)21/h12-13H,4-11H2,1-3H3,(H,20,21)
InChIKeyBXINCRZJHBXODX-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.11
Rot. Bonds3

About 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid

1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid (PubChem CID 104598886) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid
PubChem CID104598886
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid
SMILESCC1CCCC(C)N1C(=O)CN1CCCCC1(C)C(=O)O
InChIInChI=1S/C16H28N2O3/c1-12-7-6-8-13(2)18(12)14(19)11-17-10-5-4-9-16(17,3)15(20)21/h12-13H,4-11H2,1-3H3,(H,20,21)
InChIKeyBXINCRZJHBXODX-UHFFFAOYSA-N
XLogP2.11
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dimethylpiperidine-1-carbonyl)-2-methylpiperidine-2-carboxylic acid
CID 104597846
1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid
CID 104598446
1-(cyclohexylmethyl)-2-methylpiperidine-2-carboxylic acid
CID 104598472
1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid
CID 104598906
1-[2-(butan-2-ylamino)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid
CID 113431112
2-(1,4-diazaspiro[5.5]undecan-1-yl)-1-(2,6-dimethylpiperidin-1-yl)ethanone;hydrochloride
CID 119933510
2-methyl-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidine-2-carboxylic acid
CID 113431104
1-[2-(2-acetamidoethylamino)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid
CID 104598589
2-methyl-1-(oxan-3-ylmethyl)piperidine-2-carboxylic acid
CID 104599286
1-but-2-ynyl-2-methylpiperidine-2-carboxylic acid
CID 104598631
1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidine-2-carbaldehyde
CID 62654051
1-[2-(ethylcarbamoylamino)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid
CID 104598869

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid (CID 104598886) is 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid is CC1CCCC(C)N1C(=O)CN1CCCCC1(C)C(=O)O.
What is the InChIKey of 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid?
The InChIKey is BXINCRZJHBXODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-12-7-6-8-13(2)18(12)14(19)11-17-10-5-4-9-16(17,3)15(20)21/h12-13H,4-11H2,1-3H3,(H,20,21).
What are the key properties of 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid?
1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 104598886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).