3-[4-fluoro-3-(3-hydroxypiperidine-1-carbonyl)phenyl]prop-2-enoic acid

C15H16FNO4 — CID 76907212

IUPAC3-[4-fluoro-3-(3-hydroxypiperidine-1-carbonyl)phenyl]prop-2-enoic acid
SMILESO=C(O)C=Cc1ccc(F)c(C(=O)N2CCCC(O)C2)c1
InChIInChI=1S/C15H16FNO4/c16-13-5-3-10(4-6-14(19)20)8-12(13)15(21)17-7-1-2-11(18)9-17/h3-6,8,11,18H,1-2,7,9H2,(H,19,20)
InChIKeyLTGVLXUPUVTTED-UHFFFAOYSA-N
MW293.29 g/mol
LogP1.52
Rot. Bonds3

About 3-[4-fluoro-3-(3-hydroxypiperidine-1-carbonyl)phenyl]prop-2-enoic acid

3-[4-fluoro-3-(3-hydroxypiperidine-1-carbonyl)phenyl]prop-2-enoic acid (PubChem CID 76907212) has the molecular formula C15H16FNO4 and a molecular weight of 293.29 g/mol. Its IUPAC name is 3-[4-fluoro-3-(3-hydroxypiperidine-1-carbonyl)phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name3-[4-fluoro-3-(3-hydroxypiperidine-1-carbonyl)phenyl]prop-2-enoic acid
PubChem CID76907212
Molecular FormulaC15H16FNO4
Molecular Weight293.29 g/mol
Exact Mass293.11
IUPAC Name3-[4-fluoro-3-(3-hydroxypiperidine-1-carbonyl)phenyl]prop-2-enoic acid
SMILESO=C(O)C=Cc1ccc(F)c(C(=O)N2CCCC(O)C2)c1
InChIInChI=1S/C15H16FNO4/c16-13-5-3-10(4-6-14(19)20)8-12(13)15(21)17-7-1-2-11(18)9-17/h3-6,8,11,18H,1-2,7,9H2,(H,19,20)
InChIKeyLTGVLXUPUVTTED-UHFFFAOYSA-N
XLogP1.52
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[3-(3,4-dihydroxypyrrolidine-1-carbonyl)-4-fluorophenyl]prop-2-enoic acid
CID 106673593
(5-amino-2-fluorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107211692
4,5-difluoro-2-[(3S)-3-hydroxypiperidine-1-carbonyl]benzoic acid
CID 107214958
3-[3-fluoro-4-[(3-hydroxypiperidin-1-yl)methyl]phenyl]prop-2-enoic acid
CID 76909489
(2,4-difluorophenyl)-[(3R)-3-hydroxypiperidin-1-yl]methanone
CID 68625081
(E)-3-(4-chlorophenyl)-1-(3-hydroxypiperidin-1-yl)prop-2-en-1-one
CID 43415670
(E)-3-(4-fluorophenyl)-1-(3-hydroxypiperidin-1-yl)prop-2-en-1-one
CID 43415694
(4-chloro-2,5-difluorophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 82772196
(2,5-dichlorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 93032488
(E)-3-(3-fluorophenyl)-1-[(3S)-3-hydroxypiperidin-1-yl]prop-2-en-1-one
CID 107224874
(E)-3-(3-fluorophenyl)-1-(3-hydroxypiperidin-1-yl)prop-2-en-1-one
CID 43415685
(5-amino-2-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62917475

Frequently Asked Questions

What is the IUPAC name of 3-[4-fluoro-3-(3-hydroxypiperidine-1-carbonyl)phenyl]prop-2-enoic acid?
The IUPAC name of 3-[4-fluoro-3-(3-hydroxypiperidine-1-carbonyl)phenyl]prop-2-enoic acid (CID 76907212) is 3-[4-fluoro-3-(3-hydroxypiperidine-1-carbonyl)phenyl]prop-2-enoic acid.
What is the SMILES notation for 3-[4-fluoro-3-(3-hydroxypiperidine-1-carbonyl)phenyl]prop-2-enoic acid?
The canonical SMILES for 3-[4-fluoro-3-(3-hydroxypiperidine-1-carbonyl)phenyl]prop-2-enoic acid is O=C(O)C=Cc1ccc(F)c(C(=O)N2CCCC(O)C2)c1.
What is the InChIKey of 3-[4-fluoro-3-(3-hydroxypiperidine-1-carbonyl)phenyl]prop-2-enoic acid?
The InChIKey is LTGVLXUPUVTTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO4/c16-13-5-3-10(4-6-14(19)20)8-12(13)15(21)17-7-1-2-11(18)9-17/h3-6,8,11,18H,1-2,7,9H2,(H,19,20).
What are the key properties of 3-[4-fluoro-3-(3-hydroxypiperidine-1-carbonyl)phenyl]prop-2-enoic acid?
3-[4-fluoro-3-(3-hydroxypiperidine-1-carbonyl)phenyl]prop-2-enoic acid has a molecular weight of 293.29 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-fluoro-3-(3-hydroxypiperidine-1-carbonyl)phenyl]prop-2-enoic acid is sourced from PubChem (CID 76907212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).