2-[4-[(2-fluorobenzoyl)amino]piperidine-1-carbonyl]benzoic acid

C20H19FN2O4 — CID 113083297

IUPAC2-[4-[(2-fluorobenzoyl)amino]piperidine-1-carbonyl]benzoic acid
SMILESO=C(NC1CCN(C(=O)c2ccccc2C(=O)O)CC1)c1ccccc1F
InChIInChI=1S/C20H19FN2O4/c21-17-8-4-3-7-16(17)18(24)22-13-9-11-23(12-10-13)19(25)14-5-1-2-6-15(14)20(26)27/h1-8,13H,9-12H2,(H,22,24)(H,26,27)
InChIKeyVYMOOPPSYWOAGS-UHFFFAOYSA-N
MW370.38 g/mol
LogP2.56
Rot. Bonds4

About 2-[4-[(2-fluorobenzoyl)amino]piperidine-1-carbonyl]benzoic acid

2-[4-[(2-fluorobenzoyl)amino]piperidine-1-carbonyl]benzoic acid (PubChem CID 113083297) has the molecular formula C20H19FN2O4 and a molecular weight of 370.38 g/mol. Its IUPAC name is 2-[4-[(2-fluorobenzoyl)amino]piperidine-1-carbonyl]benzoic acid.

Molecular Properties

Compound Name2-[4-[(2-fluorobenzoyl)amino]piperidine-1-carbonyl]benzoic acid
PubChem CID113083297
Molecular FormulaC20H19FN2O4
Molecular Weight370.38 g/mol
Exact Mass370.13
IUPAC Name2-[4-[(2-fluorobenzoyl)amino]piperidine-1-carbonyl]benzoic acid
SMILESO=C(NC1CCN(C(=O)c2ccccc2C(=O)O)CC1)c1ccccc1F
InChIInChI=1S/C20H19FN2O4/c21-17-8-4-3-7-16(17)18(24)22-13-9-11-23(12-10-13)19(25)14-5-1-2-6-15(14)20(26)27/h1-8,13H,9-12H2,(H,22,24)(H,26,27)
InChIKeyVYMOOPPSYWOAGS-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]benzamide
CID 108549339
2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzamide
CID 119944331
2-fluoro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]benzamide
CID 110821194
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-2-fluorobenzamide
CID 108549393
N-[1-(2-fluorobenzoyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108553997
2-fluoro-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]benzamide
CID 110821143
2-[[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]carbamoyl]benzoic acid
CID 113083201
4-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzamide;hydrochloride
CID 119710955
2-[4-(cyclopropanecarbonylamino)piperidine-1-carbonyl]benzoic acid
CID 113083284
2-fluoro-N-[1-(4-oxopentanoyl)piperidin-4-yl]benzamide
CID 108549392
2-chloro-N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]benzamide
CID 108550866
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide
CID 108554779

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-fluorobenzoyl)amino]piperidine-1-carbonyl]benzoic acid?
The IUPAC name of 2-[4-[(2-fluorobenzoyl)amino]piperidine-1-carbonyl]benzoic acid (CID 113083297) is 2-[4-[(2-fluorobenzoyl)amino]piperidine-1-carbonyl]benzoic acid.
What is the SMILES notation for 2-[4-[(2-fluorobenzoyl)amino]piperidine-1-carbonyl]benzoic acid?
The canonical SMILES for 2-[4-[(2-fluorobenzoyl)amino]piperidine-1-carbonyl]benzoic acid is O=C(NC1CCN(C(=O)c2ccccc2C(=O)O)CC1)c1ccccc1F.
What is the InChIKey of 2-[4-[(2-fluorobenzoyl)amino]piperidine-1-carbonyl]benzoic acid?
The InChIKey is VYMOOPPSYWOAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O4/c21-17-8-4-3-7-16(17)18(24)22-13-9-11-23(12-10-13)19(25)14-5-1-2-6-15(14)20(26)27/h1-8,13H,9-12H2,(H,22,24)(H,26,27).
What are the key properties of 2-[4-[(2-fluorobenzoyl)amino]piperidine-1-carbonyl]benzoic acid?
2-[4-[(2-fluorobenzoyl)amino]piperidine-1-carbonyl]benzoic acid has a molecular weight of 370.38 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-fluorobenzoyl)amino]piperidine-1-carbonyl]benzoic acid is sourced from PubChem (CID 113083297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).