6-methyl-1-[3-(2-methylanilino)propanoyl]piperidine-3-carboxylic acid

C17H24N2O3 — CID 122113359

IUPAC6-methyl-1-[3-(2-methylanilino)propanoyl]piperidine-3-carboxylic acid
SMILESCc1ccccc1NCCC(=O)N1CC(C(=O)O)CCC1C
InChIInChI=1S/C17H24N2O3/c1-12-5-3-4-6-15(12)18-10-9-16(20)19-11-14(17(21)22)8-7-13(19)2/h3-6,13-14,18H,7-11H2,1-2H3,(H,21,22)
InChIKeyPUYDMLCUFHVCPW-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.51
Rot. Bonds5

About 6-methyl-1-[3-(2-methylanilino)propanoyl]piperidine-3-carboxylic acid

6-methyl-1-[3-(2-methylanilino)propanoyl]piperidine-3-carboxylic acid (PubChem CID 122113359) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 6-methyl-1-[3-(2-methylanilino)propanoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-1-[3-(2-methylanilino)propanoyl]piperidine-3-carboxylic acid
PubChem CID122113359
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name6-methyl-1-[3-(2-methylanilino)propanoyl]piperidine-3-carboxylic acid
SMILESCc1ccccc1NCCC(=O)N1CC(C(=O)O)CCC1C
InChIInChI=1S/C17H24N2O3/c1-12-5-3-4-6-15(12)18-10-9-16(20)19-11-14(17(21)22)8-7-13(19)2/h3-6,13-14,18H,7-11H2,1-2H3,(H,21,22)
InChIKeyPUYDMLCUFHVCPW-UHFFFAOYSA-N
XLogP2.51
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2-methylanilino)propanoyl]pyrrolidine-2-carboxylic acid
CID 119356114
1-[3-[(2-fluorophenyl)sulfonylamino]propanoyl]-6-methylpiperidine-3-carboxylic acid
CID 122114437
1-[3-[[benzyl(methyl)carbamoyl]amino]propanoyl]-6-methylpiperidine-3-carboxylic acid
CID 122113705
1-[2-(2-carbamoylanilino)acetyl]-6-methylpiperidine-3-carboxylic acid
CID 122112866
(3R,6S)-6-methyl-1-(2-phenylacetyl)piperidine-3-carboxylic acid
CID 169210694
1-(3-hydroxyazetidin-1-yl)-3-(2-methylanilino)propan-1-one
CID 154737556
6-methyl-1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid
CID 122083803
6-methyl-1-[3-(3-methylphenyl)propanoyl]piperidine-3-carboxylic acid
CID 122083730
6-methyl-1-(3-naphthalen-2-ylpropanoyl)piperidine-3-carboxylic acid
CID 122113865
6-methyl-1-[5-oxo-5-(2,4,6-trimethylphenyl)pentanoyl]piperidine-3-carboxylic acid
CID 122113933
1-[2-(2,5-dimethylphenyl)sulfanylacetyl]-6-methylpiperidine-3-carboxylic acid
CID 122084023
1-[3-(4-methoxyphenoxy)propanoyl]-6-methylpiperidine-3-carboxylic acid
CID 122083922

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[3-(2-methylanilino)propanoyl]piperidine-3-carboxylic acid?
The IUPAC name of 6-methyl-1-[3-(2-methylanilino)propanoyl]piperidine-3-carboxylic acid (CID 122113359) is 6-methyl-1-[3-(2-methylanilino)propanoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-1-[3-(2-methylanilino)propanoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 6-methyl-1-[3-(2-methylanilino)propanoyl]piperidine-3-carboxylic acid is Cc1ccccc1NCCC(=O)N1CC(C(=O)O)CCC1C.
What is the InChIKey of 6-methyl-1-[3-(2-methylanilino)propanoyl]piperidine-3-carboxylic acid?
The InChIKey is PUYDMLCUFHVCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12-5-3-4-6-15(12)18-10-9-16(20)19-11-14(17(21)22)8-7-13(19)2/h3-6,13-14,18H,7-11H2,1-2H3,(H,21,22).
What are the key properties of 6-methyl-1-[3-(2-methylanilino)propanoyl]piperidine-3-carboxylic acid?
6-methyl-1-[3-(2-methylanilino)propanoyl]piperidine-3-carboxylic acid has a molecular weight of 304.39 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[3-(2-methylanilino)propanoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122113359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).