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

C13H14FNO3 — CID 778075

IUPAC1-(4-fluorobenzoyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C13H14FNO3/c14-11-3-1-9(2-4-11)12(16)15-7-5-10(6-8-15)13(17)18/h1-4,10H,5-8H2,(H,17,18)
InChIKeyNOBBVBPNOXXVPA-UHFFFAOYSA-N
MW251.26 g/mol
LogP1.76
Rot. Bonds2

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

1-(4-fluorobenzoyl)piperidine-4-carboxylic acid (PubChem CID 778075) has the molecular formula C13H14FNO3 and a molecular weight of 251.26 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)piperidine-4-carboxylic acid
PubChem CID778075
Molecular FormulaC13H14FNO3
Molecular Weight251.26 g/mol
Exact Mass251.10
IUPAC Name1-(4-fluorobenzoyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C13H14FNO3/c14-11-3-1-9(2-4-11)12(16)15-7-5-10(6-8-15)13(17)18/h1-4,10H,5-8H2,(H,17,18)
InChIKeyNOBBVBPNOXXVPA-UHFFFAOYSA-N
XLogP1.76
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Benzoylpiperidine
CID 69892
1-(3,4-Difluorobenzoyl)-4-methylpiperazine
CID 550711
Butanoic acid, 4-(benzoylamino)-
CID 37118
N-benzoyl-N-methylglycine
CID 75728
1-(2-Phenylacetyl)piperidine-4-carboxylic acid
CID 280747
1-(3-Phenylpropanoyl)piperidine-4-carboxylic acid
CID 2813193
N-Benzoyl-4-piperidone
CID 90583
[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-phenyl-methanone
CID 1437062
1-(4-Chlorobenzoyl)piperidine-4-carboxylic acid
CID 738125
1-Benzoylpiperidine-4-carboxylic acid
CID 78935
1-Benzoylpiperidine-2-carboxylic acid
CID 358299
(2-Fluoro-benzoylamino)-acetic acid
CID 679228

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(4-fluorobenzoyl)piperidine-4-carboxylic acid (CID 778075) is 1-(4-fluorobenzoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-fluorobenzoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-fluorobenzoyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorobenzoyl)piperidine-4-carboxylic acid?
The InChIKey is NOBBVBPNOXXVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO3/c14-11-3-1-9(2-4-11)12(16)15-7-5-10(6-8-15)13(17)18/h1-4,10H,5-8H2,(H,17,18).
What are the key properties of 1-(4-fluorobenzoyl)piperidine-4-carboxylic acid?
1-(4-fluorobenzoyl)piperidine-4-carboxylic acid has a molecular weight of 251.26 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 778075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).