2-[[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]carbamoyl]benzoic acid

C21H21FN2O4 — CID 113083201

IUPAC2-[[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]carbamoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)NC1CCN(C(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C21H21FN2O4/c22-18-8-4-1-5-14(18)13-19(25)24-11-9-15(10-12-24)23-20(26)16-6-2-3-7-17(16)21(27)28/h1-8,15H,9-13H2,(H,23,26)(H,27,28)
InChIKeyKASZMHIIECLFLS-UHFFFAOYSA-N
MW384.41 g/mol
LogP2.49
Rot. Bonds5

About 2-[[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]carbamoyl]benzoic acid

2-[[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]carbamoyl]benzoic acid (PubChem CID 113083201) has the molecular formula C21H21FN2O4 and a molecular weight of 384.41 g/mol. Its IUPAC name is 2-[[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]carbamoyl]benzoic acid
PubChem CID113083201
Molecular FormulaC21H21FN2O4
Molecular Weight384.41 g/mol
Exact Mass384.15
IUPAC Name2-[[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]carbamoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)NC1CCN(C(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C21H21FN2O4/c22-18-8-4-1-5-14(18)13-19(25)24-11-9-15(10-12-24)23-20(26)16-6-2-3-7-17(16)21(27)28/h1-8,15H,9-13H2,(H,23,26)(H,27,28)
InChIKeyKASZMHIIECLFLS-UHFFFAOYSA-N
XLogP2.49
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(2-fluorobenzoyl)amino]piperidine-1-carbonyl]benzoic acid
CID 113083297
2-(2-fluorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119260723
N-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]-2,2-dimethylpropanamide
CID 110822805
2-[[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 113083187
2-[[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]carbamoyl]benzoic acid
CID 113083190
2-fluoro-N-[1-(4-oxopentanoyl)piperidin-4-yl]benzamide
CID 108549392
N-[1-[2-(benzylamino)acetyl]piperidin-4-yl]-2-fluorobenzamide;oxalic acid
CID 175652870
2-fluoro-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 108549375
2-bromo-N-[1-(2-phenylacetyl)piperidin-4-yl]benzamide
CID 108550222
2-fluoro-N-[1-[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide
CID 86967605
methyl 4-[[2-(2-fluorophenyl)acetyl]amino]piperidine-1-carboxylate
CID 110821770
2-fluoro-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]benzamide
CID 108549339

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]carbamoyl]benzoic acid?
The IUPAC name of 2-[[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]carbamoyl]benzoic acid (CID 113083201) is 2-[[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]carbamoyl]benzoic acid.
What is the SMILES notation for 2-[[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]carbamoyl]benzoic acid?
The canonical SMILES for 2-[[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]carbamoyl]benzoic acid is O=C(O)c1ccccc1C(=O)NC1CCN(C(=O)Cc2ccccc2F)CC1.
What is the InChIKey of 2-[[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]carbamoyl]benzoic acid?
The InChIKey is KASZMHIIECLFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O4/c22-18-8-4-1-5-14(18)13-19(25)24-11-9-15(10-12-24)23-20(26)16-6-2-3-7-17(16)21(27)28/h1-8,15H,9-13H2,(H,23,26)(H,27,28).
What are the key properties of 2-[[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]carbamoyl]benzoic acid?
2-[[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]carbamoyl]benzoic acid has a molecular weight of 384.41 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]carbamoyl]benzoic acid is sourced from PubChem (CID 113083201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).