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

C15H20N2O3 — CID 43441165

IUPAC1-[2-(N-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid
SMILESCN(C(=O)CN1CCCCC1C(=O)O)c1ccccc1
InChIInChI=1S/C15H20N2O3/c1-16(12-7-3-2-4-8-12)14(18)11-17-10-6-5-9-13(17)15(19)20/h2-4,7-8,13H,5-6,9-11H2,1H3,(H,19,20)
InChIKeySTAZRBKXDGHLIW-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.59
Rot. Bonds4

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

1-[2-(N-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid (PubChem CID 43441165) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[2-(N-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(N-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid
PubChem CID43441165
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-[2-(N-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid
SMILESCN(C(=O)CN1CCCCC1C(=O)O)c1ccccc1
InChIInChI=1S/C15H20N2O3/c1-16(12-7-3-2-4-8-12)14(18)11-17-10-6-5-9-13(17)15(19)20/h2-4,7-8,13H,5-6,9-11H2,1H3,(H,19,20)
InChIKeySTAZRBKXDGHLIW-UHFFFAOYSA-N
XLogP1.59
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 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

1-[2-(dimethylamino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 43441016
2-[2-(hydroxymethyl)piperidin-1-yl]-N-methyl-N-phenylacetamide
CID 60684693
(2S)-1-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119910568
2-[2-(aminomethyl)piperidin-1-yl]-N-methyl-N-phenylacetamide;hydrochloride
CID 119916209
3-methyl-1-[2-(N-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 107072416
(2S)-1-[2-(N-methylanilino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 94588954
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-phenylacetamide
CID 78942501
2-methyl-1-[2-(N-methylanilino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 106745081
1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 43441021
(2R)-1-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxylic acid
CID 119913957
1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]azepane-2-carboxylic acid
CID 64564533
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methyl-N-phenylacetamide
CID 62467967

Frequently Asked Questions

What is the IUPAC name of 1-[2-(N-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(N-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid (CID 43441165) is 1-[2-(N-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(N-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(N-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid is CN(C(=O)CN1CCCCC1C(=O)O)c1ccccc1.
What is the InChIKey of 1-[2-(N-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid?
The InChIKey is STAZRBKXDGHLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-16(12-7-3-2-4-8-12)14(18)11-17-10-6-5-9-13(17)15(19)20/h2-4,7-8,13H,5-6,9-11H2,1H3,(H,19,20).
What are the key properties of 1-[2-(N-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid?
1-[2-(N-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(N-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 43441165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).