1-[2-(2-methoxyphenyl)-2-methylpropanoyl]-5-methylpiperidine-3-carboxylic acid

C18H25NO4 — CID 122119780

IUPAC1-[2-(2-methoxyphenyl)-2-methylpropanoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCOc1ccccc1C(C)(C)C(=O)N1CC(C)CC(C(=O)O)C1
InChIInChI=1S/C18H25NO4/c1-12-9-13(16(20)21)11-19(10-12)17(22)18(2,3)14-7-5-6-8-15(14)23-4/h5-8,12-13H,9-11H2,1-4H3,(H,20,21)
InChIKeyXHACQKPOPGWGMD-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.54
Rot. Bonds4

About 1-[2-(2-methoxyphenyl)-2-methylpropanoyl]-5-methylpiperidine-3-carboxylic acid

1-[2-(2-methoxyphenyl)-2-methylpropanoyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122119780) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)-2-methylpropanoyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)-2-methylpropanoyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122119780
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name1-[2-(2-methoxyphenyl)-2-methylpropanoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCOc1ccccc1C(C)(C)C(=O)N1CC(C)CC(C(=O)O)C1
InChIInChI=1S/C18H25NO4/c1-12-9-13(16(20)21)11-19(10-12)17(22)18(2,3)14-7-5-6-8-15(14)23-4/h5-8,12-13H,9-11H2,1-4H3,(H,20,21)
InChIKeyXHACQKPOPGWGMD-UHFFFAOYSA-N
XLogP2.54
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dimethoxybenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122117578
5-methyl-1-[2-methyl-2-(4-methylphenyl)propanoyl]piperidine-3-carboxylic acid
CID 122119751
1-(2,2-dimethyl-3-phenylpropanoyl)-5-methylpiperidine-3-carboxylic acid
CID 122119697
1-(2-hydroxy-3-methoxybenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122117423
1-[(2-methoxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122121860
5-methyl-1-[2-(trifluoromethoxy)benzoyl]piperidine-3-carboxylic acid
CID 122117455
1-[(2-methoxy-6-methylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102972
5-methyl-1-[2-[2-(trifluoromethyl)phenoxy]ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122122695
1-[[2-(1,1-difluoroethyl)phenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122103223
1-[2-(2-methoxyethoxy)benzoyl]-5-methylpiperidine-3-carboxylic acid
CID 122119800
(3S)-1-[2-(2-fluorophenyl)-2-methylpropanoyl]pyrrolidine-3-carboxylic acid
CID 124682167
1-[2,2-difluoro-2-(4-fluorophenyl)acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122119811

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)-2-methylpropanoyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(2-methoxyphenyl)-2-methylpropanoyl]-5-methylpiperidine-3-carboxylic acid (CID 122119780) is 1-[2-(2-methoxyphenyl)-2-methylpropanoyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)-2-methylpropanoyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(2-methoxyphenyl)-2-methylpropanoyl]-5-methylpiperidine-3-carboxylic acid is COc1ccccc1C(C)(C)C(=O)N1CC(C)CC(C(=O)O)C1.
What is the InChIKey of 1-[2-(2-methoxyphenyl)-2-methylpropanoyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is XHACQKPOPGWGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c1-12-9-13(16(20)21)11-19(10-12)17(22)18(2,3)14-7-5-6-8-15(14)23-4/h5-8,12-13H,9-11H2,1-4H3,(H,20,21).
What are the key properties of 1-[2-(2-methoxyphenyl)-2-methylpropanoyl]-5-methylpiperidine-3-carboxylic acid?
1-[2-(2-methoxyphenyl)-2-methylpropanoyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 319.40 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)-2-methylpropanoyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122119780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).