1-[2-(3,4-dimethylbenzoyl)benzoyl]piperidine-4-carboxylic acid

C22H23NO4 — CID 75428699

IUPAC1-[2-(3,4-dimethylbenzoyl)benzoyl]piperidine-4-carboxylic acid
SMILESCc1ccc(C(=O)c2ccccc2C(=O)N2CCC(C(=O)O)CC2)cc1C
InChIInChI=1S/C22H23NO4/c1-14-7-8-17(13-15(14)2)20(24)18-5-3-4-6-19(18)21(25)23-11-9-16(10-12-23)22(26)27/h3-8,13,16H,9-12H2,1-2H3,(H,26,27)
InChIKeyKWNAXYNKUIMZSP-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.47
Rot. Bonds4

About 1-[2-(3,4-dimethylbenzoyl)benzoyl]piperidine-4-carboxylic acid

1-[2-(3,4-dimethylbenzoyl)benzoyl]piperidine-4-carboxylic acid (PubChem CID 75428699) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is 1-[2-(3,4-dimethylbenzoyl)benzoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3,4-dimethylbenzoyl)benzoyl]piperidine-4-carboxylic acid
PubChem CID75428699
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name1-[2-(3,4-dimethylbenzoyl)benzoyl]piperidine-4-carboxylic acid
SMILESCc1ccc(C(=O)c2ccccc2C(=O)N2CCC(C(=O)O)CC2)cc1C
InChIInChI=1S/C22H23NO4/c1-14-7-8-17(13-15(14)2)20(24)18-5-3-4-6-19(18)21(25)23-11-9-16(10-12-23)22(26)27/h3-8,13,16H,9-12H2,1-2H3,(H,26,27)
InChIKeyKWNAXYNKUIMZSP-UHFFFAOYSA-N
XLogP3.47
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3,4-dimethylbenzoyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 119353919
1-[2-(3,4-dimethylbenzoyl)benzoyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119250951
N-cyclopropyl-2-[4-[2-(3,4-dimethylbenzoyl)benzoyl]piperazin-1-yl]acetamide
CID 36936549
(3,4-dimethylphenyl)-[2-(3-methylpiperazine-1-carbonyl)phenyl]methanone
CID 119580638
1-[2-[(3,4-dimethylbenzoyl)amino]benzoyl]piperidine-4-carboxamide
CID 55645237
1-(3,4-dimethylbenzoyl)-N-methylpiperidine-4-carboxamide
CID 110350748
1-(3-amino-4-methylbenzoyl)piperidine-4-carboxylic acid
CID 61158258
1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 2935139
(3,4-dimethylphenyl)-[2-[4-(1,3-thiazol-2-yl)-1,4-diazepane-1-carbonyl]phenyl]methanone
CID 48504601
[2-[4-(methylamino)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone
CID 119561443
1-(2-aminobenzoyl)piperidine-4-carboxylic acid
CID 1211390
2-chloro-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide
CID 108550857

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethylbenzoyl)benzoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(3,4-dimethylbenzoyl)benzoyl]piperidine-4-carboxylic acid (CID 75428699) is 1-[2-(3,4-dimethylbenzoyl)benzoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(3,4-dimethylbenzoyl)benzoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(3,4-dimethylbenzoyl)benzoyl]piperidine-4-carboxylic acid is Cc1ccc(C(=O)c2ccccc2C(=O)N2CCC(C(=O)O)CC2)cc1C.
What is the InChIKey of 1-[2-(3,4-dimethylbenzoyl)benzoyl]piperidine-4-carboxylic acid?
The InChIKey is KWNAXYNKUIMZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-14-7-8-17(13-15(14)2)20(24)18-5-3-4-6-19(18)21(25)23-11-9-16(10-12-23)22(26)27/h3-8,13,16H,9-12H2,1-2H3,(H,26,27).
What are the key properties of 1-[2-(3,4-dimethylbenzoyl)benzoyl]piperidine-4-carboxylic acid?
1-[2-(3,4-dimethylbenzoyl)benzoyl]piperidine-4-carboxylic acid has a molecular weight of 365.43 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethylbenzoyl)benzoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 75428699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).