3-[1-(5-fluoro-2-hydroxybenzoyl)piperidin-4-yl]propanoic acid

C15H18FNO4 — CID 115298494

IUPAC3-[1-(5-fluoro-2-hydroxybenzoyl)piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(C(=O)c2cc(F)ccc2O)CC1
InChIInChI=1S/C15H18FNO4/c16-11-2-3-13(18)12(9-11)15(21)17-7-5-10(6-8-17)1-4-14(19)20/h2-3,9-10,18H,1,4-8H2,(H,19,20)
InChIKeyOFZCUFICYQCTKZ-UHFFFAOYSA-N
MW295.31 g/mol
LogP2.25
Rot. Bonds4

About 3-[1-(5-fluoro-2-hydroxybenzoyl)piperidin-4-yl]propanoic acid

3-[1-(5-fluoro-2-hydroxybenzoyl)piperidin-4-yl]propanoic acid (PubChem CID 115298494) has the molecular formula C15H18FNO4 and a molecular weight of 295.31 g/mol. Its IUPAC name is 3-[1-(5-fluoro-2-hydroxybenzoyl)piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(5-fluoro-2-hydroxybenzoyl)piperidin-4-yl]propanoic acid
PubChem CID115298494
Molecular FormulaC15H18FNO4
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Name3-[1-(5-fluoro-2-hydroxybenzoyl)piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(C(=O)c2cc(F)ccc2O)CC1
InChIInChI=1S/C15H18FNO4/c16-11-2-3-13(18)12(9-11)15(21)17-7-5-10(6-8-17)1-4-14(19)20/h2-3,9-10,18H,1,4-8H2,(H,19,20)
InChIKeyOFZCUFICYQCTKZ-UHFFFAOYSA-N
XLogP2.25
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(2-hydroxybenzoyl)piperidin-4-yl]propanoic acid
CID 62216443
[3-(2-chloroethyl)pyrrolidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 114801111
(4-chloropiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299535
3-[1-(2,4-dihydroxybenzoyl)piperidin-4-yl]propanoic acid
CID 62218166
3-[1-(4-chloro-2-fluorobenzoyl)piperidin-4-yl]propanoic acid
CID 62218001
2-[1-(4-fluoro-2-hydroxybenzoyl)piperidin-4-yl]acetic acid
CID 107013711
[4-(cyclopropylmethylamino)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 115307142
3-[1-(3-chloro-2-fluorobenzoyl)piperidin-4-yl]propanoic acid
CID 81265149
2-[1-(2-amino-5-fluorobenzoyl)piperidin-4-yl]acetic acid
CID 79614807
(5-fluoro-2-hydroxyphenyl)-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 115299319
[3-(2-bromoethyl)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299572
(5-fluoro-2-hydroxyphenyl)-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
CID 166230592

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-fluoro-2-hydroxybenzoyl)piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-(5-fluoro-2-hydroxybenzoyl)piperidin-4-yl]propanoic acid (CID 115298494) is 3-[1-(5-fluoro-2-hydroxybenzoyl)piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(5-fluoro-2-hydroxybenzoyl)piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(5-fluoro-2-hydroxybenzoyl)piperidin-4-yl]propanoic acid is O=C(O)CCC1CCN(C(=O)c2cc(F)ccc2O)CC1.
What is the InChIKey of 3-[1-(5-fluoro-2-hydroxybenzoyl)piperidin-4-yl]propanoic acid?
The InChIKey is OFZCUFICYQCTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO4/c16-11-2-3-13(18)12(9-11)15(21)17-7-5-10(6-8-17)1-4-14(19)20/h2-3,9-10,18H,1,4-8H2,(H,19,20).
What are the key properties of 3-[1-(5-fluoro-2-hydroxybenzoyl)piperidin-4-yl]propanoic acid?
3-[1-(5-fluoro-2-hydroxybenzoyl)piperidin-4-yl]propanoic acid has a molecular weight of 295.31 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-fluoro-2-hydroxybenzoyl)piperidin-4-yl]propanoic acid is sourced from PubChem (CID 115298494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).