3-methyl-1-[2-(N-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid

C16H22N2O3 — CID 107072416

IUPAC3-methyl-1-[2-(N-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid
SMILESCC1CCCN(CC(=O)N(C)c2ccccc2)C1C(=O)O
InChIInChI=1S/C16H22N2O3/c1-12-7-6-10-18(15(12)16(20)21)11-14(19)17(2)13-8-4-3-5-9-13/h3-5,8-9,12,15H,6-7,10-11H2,1-2H3,(H,20,21)
InChIKeyKLUCEEXSQSVLCL-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.83
Rot. Bonds4

About 3-methyl-1-[2-(N-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid

3-methyl-1-[2-(N-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid (PubChem CID 107072416) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-methyl-1-[2-(N-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[2-(N-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid
PubChem CID107072416
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-methyl-1-[2-(N-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid
SMILESCC1CCCN(CC(=O)N(C)c2ccccc2)C1C(=O)O
InChIInChI=1S/C16H22N2O3/c1-12-7-6-10-18(15(12)16(20)21)11-14(19)17(2)13-8-4-3-5-9-13/h3-5,8-9,12,15H,6-7,10-11H2,1-2H3,(H,20,21)
InChIKeyKLUCEEXSQSVLCL-UHFFFAOYSA-N
XLogP1.83
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-1-[2-(N-methylanilino)-2-oxoethyl]piperidine-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

2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-methyl-N-phenylacetamide;hydrochloride
CID 119926165
1-[2-(N-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 43441165
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-phenylacetamide
CID 78942501
1-[2-(dimethylamino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102786056
2-[2-(aminomethyl)piperidin-1-yl]-N-methyl-N-phenylacetamide;hydrochloride
CID 119916209
2-methyl-1-[2-(N-methylanilino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 106745081
2-[2-(hydroxymethyl)piperidin-1-yl]-N-methyl-N-phenylacetamide
CID 60684693
2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-methyl-N-phenylacetamide
CID 102788924
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methyl-N-phenylacetamide
CID 62467967
2-(3-formylpiperidin-1-yl)-N-methyl-N-phenylacetamide
CID 55099876
(2S)-1-[2-(N-methylanilino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 94588954
3-methyl-1-[methyl(pyridin-3-yl)carbamoyl]piperidine-2-carboxylic acid
CID 107071684

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(N-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-[2-(N-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid (CID 107072416) is 3-methyl-1-[2-(N-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[2-(N-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-[2-(N-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid is CC1CCCN(CC(=O)N(C)c2ccccc2)C1C(=O)O.
What is the InChIKey of 3-methyl-1-[2-(N-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid?
The InChIKey is KLUCEEXSQSVLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12-7-6-10-18(15(12)16(20)21)11-14(19)17(2)13-8-4-3-5-9-13/h3-5,8-9,12,15H,6-7,10-11H2,1-2H3,(H,20,21).
What are the key properties of 3-methyl-1-[2-(N-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid?
3-methyl-1-[2-(N-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(N-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 107072416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).