4-methyl-1-[methyl-(4-methylphenyl)carbamoyl]piperidine-2-carboxylic acid

C16H22N2O3 — CID 114425505

IUPAC4-methyl-1-[methyl-(4-methylphenyl)carbamoyl]piperidine-2-carboxylic acid
SMILESCc1ccc(N(C)C(=O)N2CCC(C)CC2C(=O)O)cc1
InChIInChI=1S/C16H22N2O3/c1-11-4-6-13(7-5-11)17(3)16(21)18-9-8-12(2)10-14(18)15(19)20/h4-7,12,14H,8-10H2,1-3H3,(H,19,20)
InChIKeyMIAAKLIUJLDYNU-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.74
Rot. Bonds2

About 4-methyl-1-[methyl-(4-methylphenyl)carbamoyl]piperidine-2-carboxylic acid

4-methyl-1-[methyl-(4-methylphenyl)carbamoyl]piperidine-2-carboxylic acid (PubChem CID 114425505) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-methyl-1-[methyl-(4-methylphenyl)carbamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[methyl-(4-methylphenyl)carbamoyl]piperidine-2-carboxylic acid
PubChem CID114425505
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-methyl-1-[methyl-(4-methylphenyl)carbamoyl]piperidine-2-carboxylic acid
SMILESCc1ccc(N(C)C(=O)N2CCC(C)CC2C(=O)O)cc1
InChIInChI=1S/C16H22N2O3/c1-11-4-6-13(7-5-11)17(3)16(21)18-9-8-12(2)10-14(18)15(19)20/h4-7,12,14H,8-10H2,1-3H3,(H,19,20)
InChIKeyMIAAKLIUJLDYNU-UHFFFAOYSA-N
XLogP2.74
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methyl-1-[methyl-(4-methylphenyl)carbamoyl]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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[methyl-(4-methylphenyl)carbamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 4-methyl-1-[methyl-(4-methylphenyl)carbamoyl]piperidine-2-carboxylic acid (CID 114425505) is 4-methyl-1-[methyl-(4-methylphenyl)carbamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[methyl-(4-methylphenyl)carbamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 4-methyl-1-[methyl-(4-methylphenyl)carbamoyl]piperidine-2-carboxylic acid is Cc1ccc(N(C)C(=O)N2CCC(C)CC2C(=O)O)cc1.
What is the InChIKey of 4-methyl-1-[methyl-(4-methylphenyl)carbamoyl]piperidine-2-carboxylic acid?
The InChIKey is MIAAKLIUJLDYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-4-6-13(7-5-11)17(3)16(21)18-9-8-12(2)10-14(18)15(19)20/h4-7,12,14H,8-10H2,1-3H3,(H,19,20).
What are the key properties of 4-methyl-1-[methyl-(4-methylphenyl)carbamoyl]piperidine-2-carboxylic acid?
4-methyl-1-[methyl-(4-methylphenyl)carbamoyl]piperidine-2-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[methyl-(4-methylphenyl)carbamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 114425505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).