1-(3-acetamido-4-fluorobenzoyl)piperidine-4-carboxylic acid

C15H17FN2O4 — CID 119166168

IUPAC1-(3-acetamido-4-fluorobenzoyl)piperidine-4-carboxylic acid
SMILESCC(=O)Nc1cc(C(=O)N2CCC(C(=O)O)CC2)ccc1F
InChIInChI=1S/C15H17FN2O4/c1-9(19)17-13-8-11(2-3-12(13)16)14(20)18-6-4-10(5-7-18)15(21)22/h2-3,8,10H,4-7H2,1H3,(H,17,19)(H,21,22)
InChIKeyWQSKNIVTTQWWGQ-UHFFFAOYSA-N
MW308.31 g/mol
LogP1.72
Rot. Bonds3

About 1-(3-acetamido-4-fluorobenzoyl)piperidine-4-carboxylic acid

1-(3-acetamido-4-fluorobenzoyl)piperidine-4-carboxylic acid (PubChem CID 119166168) has the molecular formula C15H17FN2O4 and a molecular weight of 308.31 g/mol. Its IUPAC name is 1-(3-acetamido-4-fluorobenzoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-acetamido-4-fluorobenzoyl)piperidine-4-carboxylic acid
PubChem CID119166168
Molecular FormulaC15H17FN2O4
Molecular Weight308.31 g/mol
Exact Mass308.12
IUPAC Name1-(3-acetamido-4-fluorobenzoyl)piperidine-4-carboxylic acid
SMILESCC(=O)Nc1cc(C(=O)N2CCC(C(=O)O)CC2)ccc1F
InChIInChI=1S/C15H17FN2O4/c1-9(19)17-13-8-11(2-3-12(13)16)14(20)18-6-4-10(5-7-18)15(21)22/h2-3,8,10H,4-7H2,1H3,(H,17,19)(H,21,22)
InChIKeyWQSKNIVTTQWWGQ-UHFFFAOYSA-N
XLogP1.72
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-2-fluorophenyl]acetamide
CID 47070444
1-(5-acetamido-2-fluorobenzoyl)piperidine-4-carboxylic acid
CID 119349532
1-(3,4-difluorobenzoyl)-N,N-dimethylpiperidine-4-carboxamide
CID 110350822
1-[4-(3,4,5-trifluorophenyl)benzoyl]piperidine-4-carboxylic acid
CID 119349636
1-(3,4-difluorobenzoyl)-N-ethylpiperidine-4-carboxamide
CID 110350917
N-(4-chloro-2-methylphenyl)-1-(3,4-difluorobenzoyl)piperidine-4-carboxamide
CID 113007286
N-cyclopropyl-1-(3,4-difluorobenzoyl)piperidine-4-carboxamide
CID 113002549
1-(3-fluoro-4-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 55150992
1-(3-amino-4-methylbenzoyl)piperidine-4-carboxylic acid
CID 61158258
1-(2-methyl-1,3-dihydroisoindole-5-carbonyl)piperidine-4-carboxylic acid
CID 84613952
N-[1-(3-amino-4-fluorobenzoyl)piperidin-4-yl]acetamide
CID 115738808
1-(4-hydroxy-3-methoxybenzoyl)piperidine-4-carboxylic acid
CID 110465982

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetamido-4-fluorobenzoyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(3-acetamido-4-fluorobenzoyl)piperidine-4-carboxylic acid (CID 119166168) is 1-(3-acetamido-4-fluorobenzoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-acetamido-4-fluorobenzoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-acetamido-4-fluorobenzoyl)piperidine-4-carboxylic acid is CC(=O)Nc1cc(C(=O)N2CCC(C(=O)O)CC2)ccc1F.
What is the InChIKey of 1-(3-acetamido-4-fluorobenzoyl)piperidine-4-carboxylic acid?
The InChIKey is WQSKNIVTTQWWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O4/c1-9(19)17-13-8-11(2-3-12(13)16)14(20)18-6-4-10(5-7-18)15(21)22/h2-3,8,10H,4-7H2,1H3,(H,17,19)(H,21,22).
What are the key properties of 1-(3-acetamido-4-fluorobenzoyl)piperidine-4-carboxylic acid?
1-(3-acetamido-4-fluorobenzoyl)piperidine-4-carboxylic acid has a molecular weight of 308.31 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetamido-4-fluorobenzoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 119166168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).