1-[2-oxo-2-(2-phenoxyanilino)ethyl]piperidine-4-carboxylic acid

C20H22N2O4 — CID 2813459

IUPAC1-[2-oxo-2-(2-phenoxyanilino)ethyl]piperidine-4-carboxylic acid
SMILESO=C(CN1CCC(C(=O)O)CC1)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C20H22N2O4/c23-19(14-22-12-10-15(11-13-22)20(24)25)21-17-8-4-5-9-18(17)26-16-6-2-1-3-7-16/h1-9,15H,10-14H2,(H,21,23)(H,24,25)
InChIKeyDRGCOKHCPQEOLA-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.21
Rot. Bonds6

About 1-[2-oxo-2-(2-phenoxyanilino)ethyl]piperidine-4-carboxylic acid

1-[2-oxo-2-(2-phenoxyanilino)ethyl]piperidine-4-carboxylic acid (PubChem CID 2813459) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-[2-oxo-2-(2-phenoxyanilino)ethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-oxo-2-(2-phenoxyanilino)ethyl]piperidine-4-carboxylic acid
PubChem CID2813459
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name1-[2-oxo-2-(2-phenoxyanilino)ethyl]piperidine-4-carboxylic acid
SMILESO=C(CN1CCC(C(=O)O)CC1)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C20H22N2O4/c23-19(14-22-12-10-15(11-13-22)20(24)25)21-17-8-4-5-9-18(17)26-16-6-2-1-3-7-16/h1-9,15H,10-14H2,(H,21,23)(H,24,25)
InChIKeyDRGCOKHCPQEOLA-UHFFFAOYSA-N
XLogP3.21
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(2-phenoxyanilino)ethyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-oxo-2-(2-phenoxyanilino)ethyl]piperidine-4-carboxylic acid (CID 2813459) is 1-[2-oxo-2-(2-phenoxyanilino)ethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-oxo-2-(2-phenoxyanilino)ethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-oxo-2-(2-phenoxyanilino)ethyl]piperidine-4-carboxylic acid is O=C(CN1CCC(C(=O)O)CC1)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of 1-[2-oxo-2-(2-phenoxyanilino)ethyl]piperidine-4-carboxylic acid?
The InChIKey is DRGCOKHCPQEOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c23-19(14-22-12-10-15(11-13-22)20(24)25)21-17-8-4-5-9-18(17)26-16-6-2-1-3-7-16/h1-9,15H,10-14H2,(H,21,23)(H,24,25).
What are the key properties of 1-[2-oxo-2-(2-phenoxyanilino)ethyl]piperidine-4-carboxylic acid?
1-[2-oxo-2-(2-phenoxyanilino)ethyl]piperidine-4-carboxylic acid has a molecular weight of 354.41 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(2-phenoxyanilino)ethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 2813459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).