4-[2-(2-fluoro-N-(2-fluorophenyl)anilino)-2-oxoethyl]piperidine-4-carboxylic acid

C20H20F2N2O3 — CID 170342174

IUPAC4-[2-(2-fluoro-N-(2-fluorophenyl)anilino)-2-oxoethyl]piperidine-4-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCNCC1)N(c1ccccc1F)c1ccccc1F
InChIInChI=1S/C20H20F2N2O3/c21-14-5-1-3-7-16(14)24(17-8-4-2-6-15(17)22)18(25)13-20(19(26)27)9-11-23-12-10-20/h1-8,23H,9-13H2,(H,26,27)
InChIKeyPTBCRQVPJXHIQD-UHFFFAOYSA-N
MW374.39 g/mol
LogP3.47
Rot. Bonds5

About 4-[2-(2-fluoro-N-(2-fluorophenyl)anilino)-2-oxoethyl]piperidine-4-carboxylic acid

4-[2-(2-fluoro-N-(2-fluorophenyl)anilino)-2-oxoethyl]piperidine-4-carboxylic acid (PubChem CID 170342174) has the molecular formula C20H20F2N2O3 and a molecular weight of 374.39 g/mol. Its IUPAC name is 4-[2-(2-fluoro-N-(2-fluorophenyl)anilino)-2-oxoethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-[2-(2-fluoro-N-(2-fluorophenyl)anilino)-2-oxoethyl]piperidine-4-carboxylic acid
PubChem CID170342174
Molecular FormulaC20H20F2N2O3
Molecular Weight374.39 g/mol
Exact Mass374.14
IUPAC Name4-[2-(2-fluoro-N-(2-fluorophenyl)anilino)-2-oxoethyl]piperidine-4-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCNCC1)N(c1ccccc1F)c1ccccc1F
InChIInChI=1S/C20H20F2N2O3/c21-14-5-1-3-7-16(14)24(17-8-4-2-6-15(17)22)18(25)13-20(19(26)27)9-11-23-12-10-20/h1-8,23H,9-13H2,(H,26,27)
InChIKeyPTBCRQVPJXHIQD-UHFFFAOYSA-N
XLogP3.47
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-fluoro-N-(2-fluorophenyl)anilino)-2-oxoethyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-[2-(2-fluoro-N-(2-fluorophenyl)anilino)-2-oxoethyl]piperidine-4-carboxylic acid (CID 170342174) is 4-[2-(2-fluoro-N-(2-fluorophenyl)anilino)-2-oxoethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-[2-(2-fluoro-N-(2-fluorophenyl)anilino)-2-oxoethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-[2-(2-fluoro-N-(2-fluorophenyl)anilino)-2-oxoethyl]piperidine-4-carboxylic acid is O=C(CC1(C(=O)O)CCNCC1)N(c1ccccc1F)c1ccccc1F.
What is the InChIKey of 4-[2-(2-fluoro-N-(2-fluorophenyl)anilino)-2-oxoethyl]piperidine-4-carboxylic acid?
The InChIKey is PTBCRQVPJXHIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O3/c21-14-5-1-3-7-16(14)24(17-8-4-2-6-15(17)22)18(25)13-20(19(26)27)9-11-23-12-10-20/h1-8,23H,9-13H2,(H,26,27).
What are the key properties of 4-[2-(2-fluoro-N-(2-fluorophenyl)anilino)-2-oxoethyl]piperidine-4-carboxylic acid?
4-[2-(2-fluoro-N-(2-fluorophenyl)anilino)-2-oxoethyl]piperidine-4-carboxylic acid has a molecular weight of 374.39 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-fluoro-N-(2-fluorophenyl)anilino)-2-oxoethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 170342174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).