1-[3-[(2,6-difluorobenzoyl)amino]benzoyl]piperidine-2-carboxylic acid

C20H18F2N2O4 — CID 119243601

IUPAC1-[3-[(2,6-difluorobenzoyl)amino]benzoyl]piperidine-2-carboxylic acid
SMILESO=C(Nc1cccc(C(=O)N2CCCCC2C(=O)O)c1)c1c(F)cccc1F
InChIInChI=1S/C20H18F2N2O4/c21-14-7-4-8-15(22)17(14)18(25)23-13-6-3-5-12(11-13)19(26)24-10-2-1-9-16(24)20(27)28/h3-8,11,16H,1-2,9-10H2,(H,23,25)(H,27,28)
InChIKeyFXCMXNWUABPGBQ-UHFFFAOYSA-N
MW388.37 g/mol
LogP3.30
Rot. Bonds4

About 1-[3-[(2,6-difluorobenzoyl)amino]benzoyl]piperidine-2-carboxylic acid

1-[3-[(2,6-difluorobenzoyl)amino]benzoyl]piperidine-2-carboxylic acid (PubChem CID 119243601) has the molecular formula C20H18F2N2O4 and a molecular weight of 388.37 g/mol. Its IUPAC name is 1-[3-[(2,6-difluorobenzoyl)amino]benzoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-[(2,6-difluorobenzoyl)amino]benzoyl]piperidine-2-carboxylic acid
PubChem CID119243601
Molecular FormulaC20H18F2N2O4
Molecular Weight388.37 g/mol
Exact Mass388.12
IUPAC Name1-[3-[(2,6-difluorobenzoyl)amino]benzoyl]piperidine-2-carboxylic acid
SMILESO=C(Nc1cccc(C(=O)N2CCCCC2C(=O)O)c1)c1c(F)cccc1F
InChIInChI=1S/C20H18F2N2O4/c21-14-7-4-8-15(22)17(14)18(25)23-13-6-3-5-12(11-13)19(26)24-10-2-1-9-16(24)20(27)28/h3-8,11,16H,1-2,9-10H2,(H,23,25)(H,27,28)
InChIKeyFXCMXNWUABPGBQ-UHFFFAOYSA-N
XLogP3.30
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 53.30
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-[(4,5-dimethylthiophene-2-carbonyl)amino]benzoyl]piperidine-2-carboxylic acid
CID 119243500
1-[3-[(2,4-dimethylbenzoyl)amino]benzoyl]piperidine-2-carboxylic acid
CID 119243505
1-[3-[(2,5-dimethylfuran-3-carbonyl)amino]benzoyl]piperidine-2-carboxylic acid
CID 119243639
1-[3-[[2-(trifluoromethylsulfanyl)acetyl]amino]benzoyl]piperidine-2-carboxylic acid
CID 119243426
1-[3-[(3-ethoxybenzoyl)amino]benzoyl]piperidine-2-carboxylic acid
CID 119243616
1-[3-[(2-methoxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid
CID 119243504
1-[3-[(2-cyclopentyloxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid
CID 119243450
1-[3-[(2-phenoxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid
CID 119243598
1-[3-(2-methylsulfonylpropanoylamino)benzoyl]piperidine-2-carboxylic acid
CID 119243514
1-(4-benzamidobenzoyl)piperidine-2-carboxylic acid
CID 119175893
(2S)-1-[3-[(2S)-2-carboxypyrrolidine-1-carbonyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 11142918

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2,6-difluorobenzoyl)amino]benzoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[3-[(2,6-difluorobenzoyl)amino]benzoyl]piperidine-2-carboxylic acid (CID 119243601) is 1-[3-[(2,6-difluorobenzoyl)amino]benzoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[3-[(2,6-difluorobenzoyl)amino]benzoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[3-[(2,6-difluorobenzoyl)amino]benzoyl]piperidine-2-carboxylic acid is O=C(Nc1cccc(C(=O)N2CCCCC2C(=O)O)c1)c1c(F)cccc1F.
What is the InChIKey of 1-[3-[(2,6-difluorobenzoyl)amino]benzoyl]piperidine-2-carboxylic acid?
The InChIKey is FXCMXNWUABPGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O4/c21-14-7-4-8-15(22)17(14)18(25)23-13-6-3-5-12(11-13)19(26)24-10-2-1-9-16(24)20(27)28/h3-8,11,16H,1-2,9-10H2,(H,23,25)(H,27,28).
What are the key properties of 1-[3-[(2,6-difluorobenzoyl)amino]benzoyl]piperidine-2-carboxylic acid?
1-[3-[(2,6-difluorobenzoyl)amino]benzoyl]piperidine-2-carboxylic acid has a molecular weight of 388.37 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2,6-difluorobenzoyl)amino]benzoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 119243601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).