1-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]-2-methylpiperidine-2-carboxylic acid

C13H23N3O4 — CID 104597906

IUPAC1-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]-2-methylpiperidine-2-carboxylic acid
SMILESCN(C)C(=O)CN(C)C(=O)N1CCCCC1(C)C(=O)O
InChIInChI=1S/C13H23N3O4/c1-13(11(18)19)7-5-6-8-16(13)12(20)15(4)9-10(17)14(2)3/h5-9H2,1-4H3,(H,18,19)
InChIKeyVJCSAGQDWZUHSV-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.46
Rot. Bonds3

About 1-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]-2-methylpiperidine-2-carboxylic acid

1-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]-2-methylpiperidine-2-carboxylic acid (PubChem CID 104597906) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 1-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]-2-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]-2-methylpiperidine-2-carboxylic acid
PubChem CID104597906
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name1-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]-2-methylpiperidine-2-carboxylic acid
SMILESCN(C)C(=O)CN(C)C(=O)N1CCCCC1(C)C(=O)O
InChIInChI=1S/C13H23N3O4/c1-13(11(18)19)7-5-6-8-16(13)12(20)15(4)9-10(17)14(2)3/h5-9H2,1-4H3,(H,18,19)
InChIKeyVJCSAGQDWZUHSV-UHFFFAOYSA-N
XLogP0.46
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]-2-methylpiperidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-hydroxypropyl(methyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 113431043
2-methyl-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-2-carboxylic acid
CID 113431022
2-methyl-1-[methyl(2-propan-2-yloxyethyl)carbamoyl]piperidine-2-carboxylic acid
CID 104598372
2-methyl-1-[methyl(2-methylsulfonylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 79863871
1-[ethyl(propan-2-yl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104597887
1-[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104598109
1-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104598019
2-methyl-1-[methyl(2-thiophen-2-ylethyl)carbamoyl]piperidine-2-carboxylic acid
CID 104598346
2-methyl-1-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]piperidine-2-carboxylic acid
CID 104598291
1-[bis(2-methoxyethyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104597994
2-methyl-1-[3-(propan-2-ylamino)propanoyl]piperidine-2-carboxylic acid
CID 113430915
2-methyl-1-[methyl(piperidin-4-yl)carbamoyl]piperidine-2-carboxylic acid
CID 104597985

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]-2-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]-2-methylpiperidine-2-carboxylic acid (CID 104597906) is 1-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]-2-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]-2-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]-2-methylpiperidine-2-carboxylic acid is CN(C)C(=O)CN(C)C(=O)N1CCCCC1(C)C(=O)O.
What is the InChIKey of 1-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]-2-methylpiperidine-2-carboxylic acid?
The InChIKey is VJCSAGQDWZUHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-13(11(18)19)7-5-6-8-16(13)12(20)15(4)9-10(17)14(2)3/h5-9H2,1-4H3,(H,18,19).
What are the key properties of 1-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]-2-methylpiperidine-2-carboxylic acid?
1-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]-2-methylpiperidine-2-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]-2-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 104597906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).