(E)-3-[2-fluoro-5-(2-oxopiperidin-1-yl)phenyl]prop-2-enoic acid

C14H14FNO3 — CID 104781492

IUPAC(E)-3-[2-fluoro-5-(2-oxopiperidin-1-yl)phenyl]prop-2-enoic acid
SMILESO=C(O)/C=C/c1cc(N2CCCCC2=O)ccc1F
InChIInChI=1S/C14H14FNO3/c15-12-6-5-11(9-10(12)4-7-14(18)19)16-8-2-1-3-13(16)17/h4-7,9H,1-3,8H2,(H,18,19)/b7-4+
InChIKeyYOAJNJOSASOREF-QPJJXVBHSA-N
MW263.27 g/mol
LogP2.44
Rot. Bonds3

About (E)-3-[2-fluoro-5-(2-oxopiperidin-1-yl)phenyl]prop-2-enoic acid

(E)-3-[2-fluoro-5-(2-oxopiperidin-1-yl)phenyl]prop-2-enoic acid (PubChem CID 104781492) has the molecular formula C14H14FNO3 and a molecular weight of 263.27 g/mol. Its IUPAC name is (E)-3-[2-fluoro-5-(2-oxopiperidin-1-yl)phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[2-fluoro-5-(2-oxopiperidin-1-yl)phenyl]prop-2-enoic acid
PubChem CID104781492
Molecular FormulaC14H14FNO3
Molecular Weight263.27 g/mol
Exact Mass263.10
IUPAC Name(E)-3-[2-fluoro-5-(2-oxopiperidin-1-yl)phenyl]prop-2-enoic acid
SMILESO=C(O)/C=C/c1cc(N2CCCCC2=O)ccc1F
InChIInChI=1S/C14H14FNO3/c15-12-6-5-11(9-10(12)4-7-14(18)19)16-8-2-1-3-13(16)17/h4-7,9H,1-3,8H2,(H,18,19)/b7-4+
InChIKeyYOAJNJOSASOREF-QPJJXVBHSA-N
XLogP2.44
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-[2-fluoro-5-(2-oxopiperidin-1-yl)phenyl]prop-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-fluoro-4-(2-oxoazepan-1-yl)phenyl]prop-2-enoic acid
CID 77069457
(E)-3-[5-(2,5-dioxopyrrolidin-1-yl)-2-fluorophenyl]prop-2-enoic acid
CID 104781483
(E)-3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-enoic acid
CID 18923208
(E)-3-[5-(1,1-dioxothiazinan-2-yl)-2-fluorophenyl]prop-2-enoic acid
CID 116816847
1-(3-bromo-4-fluorophenyl)azepan-2-one
CID 104779696
3-(2-oxopiperidin-1-yl)benzoic acid
CID 24689039
2-fluoro-5-(2-oxopiperidin-1-yl)benzonitrile
CID 79686870
1-(4-chlorophenyl)piperidin-2-one
CID 53422142
3-[4-fluoro-3-[(2-oxopiperidin-1-yl)methyl]phenyl]prop-2-enoic acid
CID 76906713
3-[2-fluoro-5-[(4-hydroxypiperidin-1-yl)methyl]phenyl]prop-2-enoic acid
CID 76908281
1-(3-fluoro-4-methoxyphenyl)piperidin-2-one
CID 142754617
3-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]prop-2-enoic acid
CID 76906542

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-fluoro-5-(2-oxopiperidin-1-yl)phenyl]prop-2-enoic acid?
The IUPAC name of (E)-3-[2-fluoro-5-(2-oxopiperidin-1-yl)phenyl]prop-2-enoic acid (CID 104781492) is (E)-3-[2-fluoro-5-(2-oxopiperidin-1-yl)phenyl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[2-fluoro-5-(2-oxopiperidin-1-yl)phenyl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[2-fluoro-5-(2-oxopiperidin-1-yl)phenyl]prop-2-enoic acid is O=C(O)/C=C/c1cc(N2CCCCC2=O)ccc1F.
What is the InChIKey of (E)-3-[2-fluoro-5-(2-oxopiperidin-1-yl)phenyl]prop-2-enoic acid?
The InChIKey is YOAJNJOSASOREF-QPJJXVBHSA-N. The full InChI is InChI=1S/C14H14FNO3/c15-12-6-5-11(9-10(12)4-7-14(18)19)16-8-2-1-3-13(16)17/h4-7,9H,1-3,8H2,(H,18,19)/b7-4+.
What are the key properties of (E)-3-[2-fluoro-5-(2-oxopiperidin-1-yl)phenyl]prop-2-enoic acid?
(E)-3-[2-fluoro-5-(2-oxopiperidin-1-yl)phenyl]prop-2-enoic acid has a molecular weight of 263.27 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-fluoro-5-(2-oxopiperidin-1-yl)phenyl]prop-2-enoic acid is sourced from PubChem (CID 104781492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).