1-[2-(4-fluoro-N-methylanilino)acetyl]piperidine-4-carboxylic acid

C15H19FN2O3 — CID 62657443

IUPAC1-[2-(4-fluoro-N-methylanilino)acetyl]piperidine-4-carboxylic acid
SMILESCN(CC(=O)N1CCC(C(=O)O)CC1)c1ccc(F)cc1
InChIInChI=1S/C15H19FN2O3/c1-17(13-4-2-12(16)3-5-13)10-14(19)18-8-6-11(7-9-18)15(20)21/h2-5,11H,6-10H2,1H3,(H,20,21)
InChIKeyQPKLLBNGBXTSAN-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.59
Rot. Bonds4

About 1-[2-(4-fluoro-N-methylanilino)acetyl]piperidine-4-carboxylic acid

1-[2-(4-fluoro-N-methylanilino)acetyl]piperidine-4-carboxylic acid (PubChem CID 62657443) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 1-[2-(4-fluoro-N-methylanilino)acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-fluoro-N-methylanilino)acetyl]piperidine-4-carboxylic acid
PubChem CID62657443
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name1-[2-(4-fluoro-N-methylanilino)acetyl]piperidine-4-carboxylic acid
SMILESCN(CC(=O)N1CCC(C(=O)O)CC1)c1ccc(F)cc1
InChIInChI=1S/C15H19FN2O3/c1-17(13-4-2-12(16)3-5-13)10-14(19)18-8-6-11(7-9-18)15(20)21/h2-5,11H,6-10H2,1H3,(H,20,21)
InChIKeyQPKLLBNGBXTSAN-UHFFFAOYSA-N
XLogP1.59
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(4-fluoro-N-methylanilino)acetyl]piperidine-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

2-(4-fluoro-N-methylanilino)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 87014867
1-[2-(N,2-dimethylanilino)acetyl]piperidine-4-carboxylic acid
CID 62657444
1-[2-(N-methylanilino)acetyl]piperidine-4-carbohydrazide
CID 63568830
1-(azepan-1-yl)-2-(3,4-difluoro-N-methylanilino)ethanone
CID 60572912
1-[2-[cycloheptyl(methyl)amino]acetyl]piperidine-4-carboxylic acid
CID 62657437
1-[2-[3-(2,4-difluorophenyl)butanoyl-methylamino]acetyl]piperidine-4-carboxylic acid
CID 120525502
1-(4-benzylpiperidin-1-yl)-2-(N-methylanilino)ethanone
CID 23294466
(3S,4R)-4-(4-fluorophenyl)-1-[2-(N-methylanilino)acetyl]pyrrolidine-3-carboxylic acid
CID 70707609
1-[2-[[2-[(3-fluorobenzoyl)amino]acetyl]-methylamino]acetyl]piperidine-4-carboxylic acid
CID 120525585
1-[2-[[1-(2,4-difluorophenyl)cyclobutanecarbonyl]-methylamino]acetyl]piperidine-4-carboxylic acid
CID 120525600
1-[2-[[2-(3-fluorophenyl)-2-methylpropanoyl]-methylamino]acetyl]piperidine-4-carboxylic acid
CID 119236282
1-[2-[methyl-(4-methylsulfanylbenzoyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119236330

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluoro-N-methylanilino)acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(4-fluoro-N-methylanilino)acetyl]piperidine-4-carboxylic acid (CID 62657443) is 1-[2-(4-fluoro-N-methylanilino)acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(4-fluoro-N-methylanilino)acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(4-fluoro-N-methylanilino)acetyl]piperidine-4-carboxylic acid is CN(CC(=O)N1CCC(C(=O)O)CC1)c1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluoro-N-methylanilino)acetyl]piperidine-4-carboxylic acid?
The InChIKey is QPKLLBNGBXTSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-17(13-4-2-12(16)3-5-13)10-14(19)18-8-6-11(7-9-18)15(20)21/h2-5,11H,6-10H2,1H3,(H,20,21).
What are the key properties of 1-[2-(4-fluoro-N-methylanilino)acetyl]piperidine-4-carboxylic acid?
1-[2-(4-fluoro-N-methylanilino)acetyl]piperidine-4-carboxylic acid has a molecular weight of 294.33 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluoro-N-methylanilino)acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 62657443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).