1-[4-(4-fluorophenyl)but-3-enoyl]-4-phenylpiperidine-4-carboxylic acid

C22H22FNO3 — CID 154750479

IUPAC1-[4-(4-fluorophenyl)but-3-enoyl]-4-phenylpiperidine-4-carboxylic acid
SMILESO=C(CC=Cc1ccc(F)cc1)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C22H22FNO3/c23-19-11-9-17(10-12-19)5-4-8-20(25)24-15-13-22(14-16-24,21(26)27)18-6-2-1-3-7-18/h1-7,9-12H,8,13-16H2,(H,26,27)
InChIKeyZNBMCXZWUFKCIR-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.87
Rot. Bonds5

About 1-[4-(4-fluorophenyl)but-3-enoyl]-4-phenylpiperidine-4-carboxylic acid

1-[4-(4-fluorophenyl)but-3-enoyl]-4-phenylpiperidine-4-carboxylic acid (PubChem CID 154750479) has the molecular formula C22H22FNO3 and a molecular weight of 367.42 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)but-3-enoyl]-4-phenylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)but-3-enoyl]-4-phenylpiperidine-4-carboxylic acid
PubChem CID154750479
Molecular FormulaC22H22FNO3
Molecular Weight367.42 g/mol
Exact Mass367.16
IUPAC Name1-[4-(4-fluorophenyl)but-3-enoyl]-4-phenylpiperidine-4-carboxylic acid
SMILESO=C(CC=Cc1ccc(F)cc1)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C22H22FNO3/c23-19-11-9-17(10-12-19)5-4-8-20(25)24-15-13-22(14-16-24,21(26)27)18-6-2-1-3-7-18/h1-7,9-12H,8,13-16H2,(H,26,27)
InChIKeyZNBMCXZWUFKCIR-UHFFFAOYSA-N
XLogP3.87
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-(4-fluorophenyl)but-3-enoyl]-4-phenylpiperidine-4-carboxylic 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

1-[2-(4-fluorophenyl)acetyl]-4-phenylpiperidine-4-carboxylic acid
CID 22240695
3-fluoro-1-[(E)-4-(4-fluorophenyl)but-3-enoyl]pyrrolidine-3-carboxylic acid
CID 119258382
1-[4-(3-carboxyprop-1-enyl)phenyl]cyclopropane-1-carboxylic acid
CID 170484314
1-butanoyl-4-phenylpiperidine-4-carboxylic acid
CID 22240994
1-[4-(4-amino-4-oxobut-1-enyl)phenyl]cyclopropane-1-carboxylic acid
CID 170798683
1-[2-(3,4-difluorophenyl)acetyl]-4-phenylpiperidine-4-carboxylic acid
CID 120512865
1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-4-phenylpiperidine-4-carboxylic acid
CID 75405301
1-(2-naphthalen-1-yloxyacetyl)-4-phenylpiperidine-4-carboxylic acid
CID 45433455
(3S)-1-[(E)-4-(4-fluorophenyl)but-3-enoyl]piperidine-3-carboxylic acid
CID 119173682
4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid
CID 59527745
[(E)-3-phenylprop-2-enyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 42976592
1-benzoyl-4-phenylpiperidine-4-carboxylic acid
CID 22240952

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)but-3-enoyl]-4-phenylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[4-(4-fluorophenyl)but-3-enoyl]-4-phenylpiperidine-4-carboxylic acid (CID 154750479) is 1-[4-(4-fluorophenyl)but-3-enoyl]-4-phenylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[4-(4-fluorophenyl)but-3-enoyl]-4-phenylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[4-(4-fluorophenyl)but-3-enoyl]-4-phenylpiperidine-4-carboxylic acid is O=C(CC=Cc1ccc(F)cc1)N1CCC(C(=O)O)(c2ccccc2)CC1.
What is the InChIKey of 1-[4-(4-fluorophenyl)but-3-enoyl]-4-phenylpiperidine-4-carboxylic acid?
The InChIKey is ZNBMCXZWUFKCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FNO3/c23-19-11-9-17(10-12-19)5-4-8-20(25)24-15-13-22(14-16-24,21(26)27)18-6-2-1-3-7-18/h1-7,9-12H,8,13-16H2,(H,26,27).
What are the key properties of 1-[4-(4-fluorophenyl)but-3-enoyl]-4-phenylpiperidine-4-carboxylic acid?
1-[4-(4-fluorophenyl)but-3-enoyl]-4-phenylpiperidine-4-carboxylic acid has a molecular weight of 367.42 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)but-3-enoyl]-4-phenylpiperidine-4-carboxylic acid is sourced from PubChem (CID 154750479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).