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

C17H23NO3 — CID 122083730

IUPAC6-methyl-1-[3-(3-methylphenyl)propanoyl]piperidine-3-carboxylic acid
SMILESCc1cccc(CCC(=O)N2CC(C(=O)O)CCC2C)c1
InChIInChI=1S/C17H23NO3/c1-12-4-3-5-14(10-12)7-9-16(19)18-11-15(17(20)21)8-6-13(18)2/h3-5,10,13,15H,6-9,11H2,1-2H3,(H,20,21)
InChIKeySQIWGBTULYVZFG-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.64
Rot. Bonds4

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

6-methyl-1-[3-(3-methylphenyl)propanoyl]piperidine-3-carboxylic acid (PubChem CID 122083730) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is 6-methyl-1-[3-(3-methylphenyl)propanoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-1-[3-(3-methylphenyl)propanoyl]piperidine-3-carboxylic acid
PubChem CID122083730
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name6-methyl-1-[3-(3-methylphenyl)propanoyl]piperidine-3-carboxylic acid
SMILESCc1cccc(CCC(=O)N2CC(C(=O)O)CCC2C)c1
InChIInChI=1S/C17H23NO3/c1-12-4-3-5-14(10-12)7-9-16(19)18-11-15(17(20)21)8-6-13(18)2/h3-5,10,13,15H,6-9,11H2,1-2H3,(H,20,21)
InChIKeySQIWGBTULYVZFG-UHFFFAOYSA-N
XLogP2.64
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-1-(3-naphthalen-2-ylpropanoyl)piperidine-3-carboxylic acid
CID 122113865
(3R,6S)-6-methyl-1-(2-phenylacetyl)piperidine-3-carboxylic acid
CID 169210694
1-[3-(3-methylphenyl)propanoyl]azepane-2-carboxylic acid
CID 64559157
(2R)-1-[3-(3-methylphenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 78922373
6-methyl-1-[3-(1-phenylpyrazol-4-yl)propanoyl]piperidine-3-carboxylic acid
CID 122114200
6-methyl-1-[2-[3-(4-methylphenyl)propanoylamino]acetyl]piperidine-3-carboxylic acid
CID 122113753
1-(3,4-dimethylpiperazin-1-yl)-3-(3-methylphenyl)propan-1-one
CID 110707634
4-methoxy-1-[3-(3-methylphenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 62364996
6-methyl-1-[2-[3-(trifluoromethyl)phenyl]acetyl]piperidine-3-carboxylic acid
CID 122083935
6-methyl-1-[2-(3-propoxyphenyl)acetyl]piperidine-3-carboxylic acid
CID 122112816
3-(3-methylphenyl)-1-(2-methyl-1,3-thiazolidin-3-yl)propan-1-one
CID 122331753
1-[2-(aminomethyl)piperidin-1-yl]-3-(3-methylphenyl)propan-1-one
CID 62366943

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[3-(3-methylphenyl)propanoyl]piperidine-3-carboxylic acid?
The IUPAC name of 6-methyl-1-[3-(3-methylphenyl)propanoyl]piperidine-3-carboxylic acid (CID 122083730) is 6-methyl-1-[3-(3-methylphenyl)propanoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-1-[3-(3-methylphenyl)propanoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 6-methyl-1-[3-(3-methylphenyl)propanoyl]piperidine-3-carboxylic acid is Cc1cccc(CCC(=O)N2CC(C(=O)O)CCC2C)c1.
What is the InChIKey of 6-methyl-1-[3-(3-methylphenyl)propanoyl]piperidine-3-carboxylic acid?
The InChIKey is SQIWGBTULYVZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-12-4-3-5-14(10-12)7-9-16(19)18-11-15(17(20)21)8-6-13(18)2/h3-5,10,13,15H,6-9,11H2,1-2H3,(H,20,21).
What are the key properties of 6-methyl-1-[3-(3-methylphenyl)propanoyl]piperidine-3-carboxylic acid?
6-methyl-1-[3-(3-methylphenyl)propanoyl]piperidine-3-carboxylic acid has a molecular weight of 289.37 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[3-(3-methylphenyl)propanoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122083730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).