1-[2-(3-fluoro-5-methylanilino)acetyl]piperidine-4-carboxylic acid

C15H19FN2O3 — CID 103255963

IUPAC1-[2-(3-fluoro-5-methylanilino)acetyl]piperidine-4-carboxylic acid
SMILESCc1cc(F)cc(NCC(=O)N2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C15H19FN2O3/c1-10-6-12(16)8-13(7-10)17-9-14(19)18-4-2-11(3-5-18)15(20)21/h6-8,11,17H,2-5,9H2,1H3,(H,20,21)
InChIKeyARCVVIWOGOFWKP-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.87
Rot. Bonds4

About 1-[2-(3-fluoro-5-methylanilino)acetyl]piperidine-4-carboxylic acid

1-[2-(3-fluoro-5-methylanilino)acetyl]piperidine-4-carboxylic acid (PubChem CID 103255963) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 1-[2-(3-fluoro-5-methylanilino)acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3-fluoro-5-methylanilino)acetyl]piperidine-4-carboxylic acid
PubChem CID103255963
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name1-[2-(3-fluoro-5-methylanilino)acetyl]piperidine-4-carboxylic acid
SMILESCc1cc(F)cc(NCC(=O)N2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C15H19FN2O3/c1-10-6-12(16)8-13(7-10)17-9-14(19)18-4-2-11(3-5-18)15(20)21/h6-8,11,17H,2-5,9H2,1H3,(H,20,21)
InChIKeyARCVVIWOGOFWKP-UHFFFAOYSA-N
XLogP1.87
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azepan-1-yl)-2-(3-fluoro-5-methylanilino)ethanone
CID 79055078
2-(3-fluoro-5-methylanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 79054916
1-[2-(2-bromo-4-methylanilino)acetyl]piperidine-4-carboxylic acid
CID 103231678
1-[2-(2-bromo-5-fluoroanilino)acetyl]piperidine-4-carboxylic acid
CID 107636652
1-(4-acetylpiperazin-1-yl)-2-(3,5-dimethylanilino)ethanone
CID 108996155
1-[(3-fluoro-5-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 4022885
1-(3-fluoro-5-methylanilino)propan-2-one
CID 143897845
1-(azepan-1-yl)-2-(4-bromo-3,5-dimethylanilino)ethanone
CID 107573726
1-[2-(4-fluoro-2-methylanilino)acetyl]piperidine-4-carboxamide
CID 37273732
1-[2-(2,4-dichloroanilino)acetyl]piperidine-4-carboxylic acid
CID 103232277
4-[(3,5-difluoroanilino)methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106499058
2-(3-fluoroanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 109004075

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluoro-5-methylanilino)acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(3-fluoro-5-methylanilino)acetyl]piperidine-4-carboxylic acid (CID 103255963) is 1-[2-(3-fluoro-5-methylanilino)acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(3-fluoro-5-methylanilino)acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(3-fluoro-5-methylanilino)acetyl]piperidine-4-carboxylic acid is Cc1cc(F)cc(NCC(=O)N2CCC(C(=O)O)CC2)c1.
What is the InChIKey of 1-[2-(3-fluoro-5-methylanilino)acetyl]piperidine-4-carboxylic acid?
The InChIKey is ARCVVIWOGOFWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-10-6-12(16)8-13(7-10)17-9-14(19)18-4-2-11(3-5-18)15(20)21/h6-8,11,17H,2-5,9H2,1H3,(H,20,21).
What are the key properties of 1-[2-(3-fluoro-5-methylanilino)acetyl]piperidine-4-carboxylic acid?
1-[2-(3-fluoro-5-methylanilino)acetyl]piperidine-4-carboxylic acid has a molecular weight of 294.33 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluoro-5-methylanilino)acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 103255963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).