1-[2-carbamoyl-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]piperidine-4-carboxylic acid

C24H22FN3O4 — CID 56943522

IUPAC1-[2-carbamoyl-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]piperidine-4-carboxylic acid
SMILESNC(=O)c1cc(N2CCC(C(=O)O)CC2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C24H22FN3O4/c25-17-3-7-20(8-4-17)32-19-5-1-15(2-6-19)21-13-18(14-22(27-21)23(26)29)28-11-9-16(10-12-28)24(30)31/h1-8,13-14,16H,9-12H2,(H2,26,29)(H,30,31)
InChIKeyGLMVGGOWBLIFGV-UHFFFAOYSA-N
MW435.46 g/mol
LogP4.08
Rot. Bonds6

About 1-[2-carbamoyl-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]piperidine-4-carboxylic acid

1-[2-carbamoyl-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]piperidine-4-carboxylic acid (PubChem CID 56943522) has the molecular formula C24H22FN3O4 and a molecular weight of 435.46 g/mol. Its IUPAC name is 1-[2-carbamoyl-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-carbamoyl-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]piperidine-4-carboxylic acid
PubChem CID56943522
Molecular FormulaC24H22FN3O4
Molecular Weight435.46 g/mol
Exact Mass435.16
IUPAC Name1-[2-carbamoyl-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]piperidine-4-carboxylic acid
SMILESNC(=O)c1cc(N2CCC(C(=O)O)CC2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C24H22FN3O4/c25-17-3-7-20(8-4-17)32-19-5-1-15(2-6-19)21-13-18(14-22(27-21)23(26)29)28-11-9-16(10-12-28)24(30)31/h1-8,13-14,16H,9-12H2,(H2,26,29)(H,30,31)
InChIKeyGLMVGGOWBLIFGV-UHFFFAOYSA-N
XLogP4.08
TPSA105.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-carbamoyl-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-carbamoyl-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]piperidine-4-carboxylic acid (CID 56943522) is 1-[2-carbamoyl-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-carbamoyl-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-carbamoyl-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]piperidine-4-carboxylic acid is NC(=O)c1cc(N2CCC(C(=O)O)CC2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1.
What is the InChIKey of 1-[2-carbamoyl-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]piperidine-4-carboxylic acid?
The InChIKey is GLMVGGOWBLIFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O4/c25-17-3-7-20(8-4-17)32-19-5-1-15(2-6-19)21-13-18(14-22(27-21)23(26)29)28-11-9-16(10-12-28)24(30)31/h1-8,13-14,16H,9-12H2,(H2,26,29)(H,30,31).
What are the key properties of 1-[2-carbamoyl-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]piperidine-4-carboxylic acid?
1-[2-carbamoyl-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]piperidine-4-carboxylic acid has a molecular weight of 435.46 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-carbamoyl-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 56943522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).