1-(2-methoxybenzoyl)-3-[(2-methylphenyl)methyl]piperidine-3-carboxylic acid

C22H25NO4 — CID 56918920

IUPAC1-(2-methoxybenzoyl)-3-[(2-methylphenyl)methyl]piperidine-3-carboxylic acid
SMILESCOc1ccccc1C(=O)N1CCCC(Cc2ccccc2C)(C(=O)O)C1
InChIInChI=1S/C22H25NO4/c1-16-8-3-4-9-17(16)14-22(21(25)26)12-7-13-23(15-22)20(24)18-10-5-6-11-19(18)27-2/h3-6,8-11H,7,12-15H2,1-2H3,(H,25,26)
InChIKeyPQIIGEKAMQLGDL-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.55
Rot. Bonds5

About 1-(2-methoxybenzoyl)-3-[(2-methylphenyl)methyl]piperidine-3-carboxylic acid

1-(2-methoxybenzoyl)-3-[(2-methylphenyl)methyl]piperidine-3-carboxylic acid (PubChem CID 56918920) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-(2-methoxybenzoyl)-3-[(2-methylphenyl)methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxybenzoyl)-3-[(2-methylphenyl)methyl]piperidine-3-carboxylic acid
PubChem CID56918920
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Name1-(2-methoxybenzoyl)-3-[(2-methylphenyl)methyl]piperidine-3-carboxylic acid
SMILESCOc1ccccc1C(=O)N1CCCC(Cc2ccccc2C)(C(=O)O)C1
InChIInChI=1S/C22H25NO4/c1-16-8-3-4-9-17(16)14-22(21(25)26)12-7-13-23(15-22)20(24)18-10-5-6-11-19(18)27-2/h3-6,8-11H,7,12-15H2,1-2H3,(H,25,26)
InChIKeyPQIIGEKAMQLGDL-UHFFFAOYSA-N
XLogP3.55
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxybenzoyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide
CID 110232048
ethyl 3-[(2,4-difluorophenyl)methyl]-1-(2-methoxybenzoyl)piperidine-3-carboxylate
CID 45216972
(3S)-1-(2-methoxybenzoyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92601128
1-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-(2-methylphenyl)ethanone
CID 110818228
3-ethyl-1-(2-methoxy-5-sulfamoylbenzoyl)piperidine-3-carboxylic acid
CID 70715759
(2-methoxyphenyl)-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone
CID 4215728
1-(2-cyanobenzoyl)-3-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 72895498
3-(2-methoxyethyl)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid
CID 72865109
(3R)-3-(3-methoxypropyl)-1-[3-(2-methylphenyl)propanoyl]piperidine-3-carboxylic acid
CID 97126186
3-(3-methoxypropyl)-1-[3-(2-methylphenyl)propanoyl]piperidine-3-carboxylic acid
CID 72876430
1-(2-methoxybenzoyl)-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 110230966
1-(2-bromobenzoyl)-3-propylpiperidine-3-carboxylic acid
CID 63134142

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxybenzoyl)-3-[(2-methylphenyl)methyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-(2-methoxybenzoyl)-3-[(2-methylphenyl)methyl]piperidine-3-carboxylic acid (CID 56918920) is 1-(2-methoxybenzoyl)-3-[(2-methylphenyl)methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-methoxybenzoyl)-3-[(2-methylphenyl)methyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-methoxybenzoyl)-3-[(2-methylphenyl)methyl]piperidine-3-carboxylic acid is COc1ccccc1C(=O)N1CCCC(Cc2ccccc2C)(C(=O)O)C1.
What is the InChIKey of 1-(2-methoxybenzoyl)-3-[(2-methylphenyl)methyl]piperidine-3-carboxylic acid?
The InChIKey is PQIIGEKAMQLGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c1-16-8-3-4-9-17(16)14-22(21(25)26)12-7-13-23(15-22)20(24)18-10-5-6-11-19(18)27-2/h3-6,8-11H,7,12-15H2,1-2H3,(H,25,26).
What are the key properties of 1-(2-methoxybenzoyl)-3-[(2-methylphenyl)methyl]piperidine-3-carboxylic acid?
1-(2-methoxybenzoyl)-3-[(2-methylphenyl)methyl]piperidine-3-carboxylic acid has a molecular weight of 367.45 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxybenzoyl)-3-[(2-methylphenyl)methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 56918920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).