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

C22H24N2O4 — CID 119243505

IUPAC1-[3-[(2,4-dimethylbenzoyl)amino]benzoyl]piperidine-2-carboxylic acid
SMILESCc1ccc(C(=O)Nc2cccc(C(=O)N3CCCCC3C(=O)O)c2)c(C)c1
InChIInChI=1S/C22H24N2O4/c1-14-9-10-18(15(2)12-14)20(25)23-17-7-5-6-16(13-17)21(26)24-11-4-3-8-19(24)22(27)28/h5-7,9-10,12-13,19H,3-4,8,11H2,1-2H3,(H,23,25)(H,27,28)
InChIKeyGGZRLZVVJIJBKZ-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.64
Rot. Bonds4

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

1-[3-[(2,4-dimethylbenzoyl)amino]benzoyl]piperidine-2-carboxylic acid (PubChem CID 119243505) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 1-[3-[(2,4-dimethylbenzoyl)amino]benzoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-[(2,4-dimethylbenzoyl)amino]benzoyl]piperidine-2-carboxylic acid
PubChem CID119243505
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name1-[3-[(2,4-dimethylbenzoyl)amino]benzoyl]piperidine-2-carboxylic acid
SMILESCc1ccc(C(=O)Nc2cccc(C(=O)N3CCCCC3C(=O)O)c2)c(C)c1
InChIInChI=1S/C22H24N2O4/c1-14-9-10-18(15(2)12-14)20(25)23-17-7-5-6-16(13-17)21(26)24-11-4-3-8-19(24)22(27)28/h5-7,9-10,12-13,19H,3-4,8,11H2,1-2H3,(H,23,25)(H,27,28)
InChIKeyGGZRLZVVJIJBKZ-UHFFFAOYSA-N
XLogP3.64
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[(2-methylbenzoyl)amino]benzoyl]piperidine-2-carboxylic acid
CID 132900807
1-[3-[(2,5-dimethylfuran-3-carbonyl)amino]benzoyl]piperidine-2-carboxylic acid
CID 119243639
1-[3-[[2-(2,5-dimethylphenyl)acetyl]amino]benzoyl]piperidine-2-carboxylic acid
CID 119243578
1-[3-[(4,5-dimethylthiophene-2-carbonyl)amino]benzoyl]piperidine-2-carboxylic acid
CID 119243500
1-[3-[(2,6-difluorobenzoyl)amino]benzoyl]piperidine-2-carboxylic acid
CID 119243601
1-[3-[(3-ethoxybenzoyl)amino]benzoyl]piperidine-2-carboxylic acid
CID 119243616
1-[3-[(2-methoxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid
CID 119243504
(2R)-N-cyclohexyl-1-[3-[(2-methylbenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide
CID 92728157
1-[3-[[2-(butanoylamino)acetyl]amino]benzoyl]piperidine-2-carboxylic acid
CID 119243584
1-(4-benzamidobenzoyl)piperidine-2-carboxylic acid
CID 119175893
1-[3-(2-methylsulfonylpropanoylamino)benzoyl]piperidine-2-carboxylic acid
CID 119243514
1-[3-[[5-(methoxymethyl)furan-2-carbonyl]amino]benzoyl]piperidine-2-carboxylic acid
CID 119243546

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2,4-dimethylbenzoyl)amino]benzoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[3-[(2,4-dimethylbenzoyl)amino]benzoyl]piperidine-2-carboxylic acid (CID 119243505) is 1-[3-[(2,4-dimethylbenzoyl)amino]benzoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[3-[(2,4-dimethylbenzoyl)amino]benzoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[3-[(2,4-dimethylbenzoyl)amino]benzoyl]piperidine-2-carboxylic acid is Cc1ccc(C(=O)Nc2cccc(C(=O)N3CCCCC3C(=O)O)c2)c(C)c1.
What is the InChIKey of 1-[3-[(2,4-dimethylbenzoyl)amino]benzoyl]piperidine-2-carboxylic acid?
The InChIKey is GGZRLZVVJIJBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-14-9-10-18(15(2)12-14)20(25)23-17-7-5-6-16(13-17)21(26)24-11-4-3-8-19(24)22(27)28/h5-7,9-10,12-13,19H,3-4,8,11H2,1-2H3,(H,23,25)(H,27,28).
What are the key properties of 1-[3-[(2,4-dimethylbenzoyl)amino]benzoyl]piperidine-2-carboxylic acid?
1-[3-[(2,4-dimethylbenzoyl)amino]benzoyl]piperidine-2-carboxylic acid has a molecular weight of 380.44 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2,4-dimethylbenzoyl)amino]benzoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 119243505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).