2-methyl-1-[2-(N-methylanilino)-2-oxoethyl]piperidine-4-carboxylic acid

C16H22N2O3 — CID 106745081

IUPAC2-methyl-1-[2-(N-methylanilino)-2-oxoethyl]piperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1CC(=O)N(C)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-12-10-13(16(20)21)8-9-18(12)11-15(19)17(2)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,20,21)
InChIKeyCMDHXDHIXPYDCP-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.83
Rot. Bonds4

About 2-methyl-1-[2-(N-methylanilino)-2-oxoethyl]piperidine-4-carboxylic acid

2-methyl-1-[2-(N-methylanilino)-2-oxoethyl]piperidine-4-carboxylic acid (PubChem CID 106745081) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-methyl-1-[2-(N-methylanilino)-2-oxoethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[2-(N-methylanilino)-2-oxoethyl]piperidine-4-carboxylic acid
PubChem CID106745081
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-methyl-1-[2-(N-methylanilino)-2-oxoethyl]piperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1CC(=O)N(C)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-12-10-13(16(20)21)8-9-18(12)11-15(19)17(2)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,20,21)
InChIKeyCMDHXDHIXPYDCP-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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(N-methylanilino)-2-oxoethyl]piperidine-4-carboxylic acid?
The IUPAC name of 2-methyl-1-[2-(N-methylanilino)-2-oxoethyl]piperidine-4-carboxylic acid (CID 106745081) is 2-methyl-1-[2-(N-methylanilino)-2-oxoethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[2-(N-methylanilino)-2-oxoethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-1-[2-(N-methylanilino)-2-oxoethyl]piperidine-4-carboxylic acid is CC1CC(C(=O)O)CCN1CC(=O)N(C)c1ccccc1.
What is the InChIKey of 2-methyl-1-[2-(N-methylanilino)-2-oxoethyl]piperidine-4-carboxylic acid?
The InChIKey is CMDHXDHIXPYDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12-10-13(16(20)21)8-9-18(12)11-15(19)17(2)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,20,21).
What are the key properties of 2-methyl-1-[2-(N-methylanilino)-2-oxoethyl]piperidine-4-carboxylic acid?
2-methyl-1-[2-(N-methylanilino)-2-oxoethyl]piperidine-4-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 2-methyl-1-[2-(N-methylanilino)-2-oxoethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 106745081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).