1-[3-[(4-fluorobenzoyl)amino]benzoyl]piperidine-3-carboxylic acid

C20H19FN2O4 — CID 119167379

IUPAC1-[3-[(4-fluorobenzoyl)amino]benzoyl]piperidine-3-carboxylic acid
SMILESO=C(Nc1cccc(C(=O)N2CCCC(C(=O)O)C2)c1)c1ccc(F)cc1
InChIInChI=1S/C20H19FN2O4/c21-16-8-6-13(7-9-16)18(24)22-17-5-1-3-14(11-17)19(25)23-10-2-4-15(12-23)20(26)27/h1,3,5-9,11,15H,2,4,10,12H2,(H,22,24)(H,26,27)
InChIKeyWULGZOIZAJEMPK-UHFFFAOYSA-N
MW370.38 g/mol
LogP3.01
Rot. Bonds4

About 1-[3-[(4-fluorobenzoyl)amino]benzoyl]piperidine-3-carboxylic acid

1-[3-[(4-fluorobenzoyl)amino]benzoyl]piperidine-3-carboxylic acid (PubChem CID 119167379) has the molecular formula C20H19FN2O4 and a molecular weight of 370.38 g/mol. Its IUPAC name is 1-[3-[(4-fluorobenzoyl)amino]benzoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-[(4-fluorobenzoyl)amino]benzoyl]piperidine-3-carboxylic acid
PubChem CID119167379
Molecular FormulaC20H19FN2O4
Molecular Weight370.38 g/mol
Exact Mass370.13
IUPAC Name1-[3-[(4-fluorobenzoyl)amino]benzoyl]piperidine-3-carboxylic acid
SMILESO=C(Nc1cccc(C(=O)N2CCCC(C(=O)O)C2)c1)c1ccc(F)cc1
InChIInChI=1S/C20H19FN2O4/c21-16-8-6-13(7-9-16)18(24)22-17-5-1-3-14(11-17)19(25)23-10-2-4-15(12-23)20(26)27/h1,3,5-9,11,15H,2,4,10,12H2,(H,22,24)(H,26,27)
InChIKeyWULGZOIZAJEMPK-UHFFFAOYSA-N
XLogP3.01
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-1-[3-[(4-fluorobenzoyl)amino]benzoyl]-2-methylpiperidine-3-carboxylic acid
CID 122115413
1-(3-benzamidobenzoyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 46387250
4-fluoro-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]benzamide
CID 46430432
(3R)-1-[(3-acetylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512783
N-benzyl-1-[3-[(4-methylbenzoyl)amino]benzoyl]piperidine-3-carboxamide
CID 50829419
3-(azepane-1-carbonyl)-N-(3-fluorophenyl)benzamide
CID 109056732
(3S)-1-(3-benzamidobenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 92729519
1-[3-[(4-chlorobenzoyl)amino]benzoyl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 50829376
(3S)-1-(3-aminobenzoyl)piperidine-3-carboxylic acid
CID 81125780
N-(3-fluorophenyl)-3-(pyrrolidine-1-carbonyl)benzamide
CID 109051768
(3R)-1-(3-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257324
N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]cyclobutanecarboxamide
CID 110930987

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-fluorobenzoyl)amino]benzoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[3-[(4-fluorobenzoyl)amino]benzoyl]piperidine-3-carboxylic acid (CID 119167379) is 1-[3-[(4-fluorobenzoyl)amino]benzoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-[(4-fluorobenzoyl)amino]benzoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[3-[(4-fluorobenzoyl)amino]benzoyl]piperidine-3-carboxylic acid is O=C(Nc1cccc(C(=O)N2CCCC(C(=O)O)C2)c1)c1ccc(F)cc1.
What is the InChIKey of 1-[3-[(4-fluorobenzoyl)amino]benzoyl]piperidine-3-carboxylic acid?
The InChIKey is WULGZOIZAJEMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O4/c21-16-8-6-13(7-9-16)18(24)22-17-5-1-3-14(11-17)19(25)23-10-2-4-15(12-23)20(26)27/h1,3,5-9,11,15H,2,4,10,12H2,(H,22,24)(H,26,27).
What are the key properties of 1-[3-[(4-fluorobenzoyl)amino]benzoyl]piperidine-3-carboxylic acid?
1-[3-[(4-fluorobenzoyl)amino]benzoyl]piperidine-3-carboxylic acid has a molecular weight of 370.38 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-fluorobenzoyl)amino]benzoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 119167379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).