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

C16H21NO3 — CID 106742049

IUPAC2-methyl-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxylic acid
SMILESCc1ccccc1CC(=O)N1CCC(C(=O)O)CC1C
InChIInChI=1S/C16H21NO3/c1-11-5-3-4-6-13(11)10-15(18)17-8-7-14(16(19)20)9-12(17)2/h3-6,12,14H,7-10H2,1-2H3,(H,19,20)
InChIKeyHHOIETDXEAUVGT-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.25
Rot. Bonds3

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

2-methyl-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxylic acid (PubChem CID 106742049) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-methyl-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxylic acid
PubChem CID106742049
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name2-methyl-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxylic acid
SMILESCc1ccccc1CC(=O)N1CCC(C(=O)O)CC1C
InChIInChI=1S/C16H21NO3/c1-11-5-3-4-6-13(11)10-15(18)17-8-7-14(16(19)20)9-12(17)2/h3-6,12,14H,7-10H2,1-2H3,(H,19,20)
InChIKeyHHOIETDXEAUVGT-UHFFFAOYSA-N
XLogP2.25
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 2-methyl-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxylic acid (CID 106742049) is 2-methyl-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxylic acid is Cc1ccccc1CC(=O)N1CCC(C(=O)O)CC1C.
What is the InChIKey of 2-methyl-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxylic acid?
The InChIKey is HHOIETDXEAUVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-11-5-3-4-6-13(11)10-15(18)17-8-7-14(16(19)20)9-12(17)2/h3-6,12,14H,7-10H2,1-2H3,(H,19,20).
What are the key properties of 2-methyl-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxylic acid?
2-methyl-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 106742049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).