4-(3-fluorophenoxy)-1-(6-methoxypyrimidin-4-yl)piperidine-4-carboxylic acid

C17H18FN3O4 — CID 56912254

IUPAC4-(3-fluorophenoxy)-1-(6-methoxypyrimidin-4-yl)piperidine-4-carboxylic acid
SMILESCOc1cc(N2CCC(Oc3cccc(F)c3)(C(=O)O)CC2)ncn1
InChIInChI=1S/C17H18FN3O4/c1-24-15-10-14(19-11-20-15)21-7-5-17(6-8-21,16(22)23)25-13-4-2-3-12(18)9-13/h2-4,9-11H,5-8H2,1H3,(H,22,23)
InChIKeyFMJYCXOJIGJRJA-UHFFFAOYSA-N
MW347.35 g/mol
LogP2.13
Rot. Bonds5

About 4-(3-fluorophenoxy)-1-(6-methoxypyrimidin-4-yl)piperidine-4-carboxylic acid

4-(3-fluorophenoxy)-1-(6-methoxypyrimidin-4-yl)piperidine-4-carboxylic acid (PubChem CID 56912254) has the molecular formula C17H18FN3O4 and a molecular weight of 347.35 g/mol. Its IUPAC name is 4-(3-fluorophenoxy)-1-(6-methoxypyrimidin-4-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(3-fluorophenoxy)-1-(6-methoxypyrimidin-4-yl)piperidine-4-carboxylic acid
PubChem CID56912254
Molecular FormulaC17H18FN3O4
Molecular Weight347.35 g/mol
Exact Mass347.13
IUPAC Name4-(3-fluorophenoxy)-1-(6-methoxypyrimidin-4-yl)piperidine-4-carboxylic acid
SMILESCOc1cc(N2CCC(Oc3cccc(F)c3)(C(=O)O)CC2)ncn1
InChIInChI=1S/C17H18FN3O4/c1-24-15-10-14(19-11-20-15)21-7-5-17(6-8-21,16(22)23)25-13-4-2-3-12(18)9-13/h2-4,9-11H,5-8H2,1H3,(H,22,23)
InChIKeyFMJYCXOJIGJRJA-UHFFFAOYSA-N
XLogP2.13
TPSA84.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenoxy)-1-(6-methoxypyrimidin-4-yl)piperidine-4-carboxylic acid?
The IUPAC name of 4-(3-fluorophenoxy)-1-(6-methoxypyrimidin-4-yl)piperidine-4-carboxylic acid (CID 56912254) is 4-(3-fluorophenoxy)-1-(6-methoxypyrimidin-4-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(3-fluorophenoxy)-1-(6-methoxypyrimidin-4-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-(3-fluorophenoxy)-1-(6-methoxypyrimidin-4-yl)piperidine-4-carboxylic acid is COc1cc(N2CCC(Oc3cccc(F)c3)(C(=O)O)CC2)ncn1.
What is the InChIKey of 4-(3-fluorophenoxy)-1-(6-methoxypyrimidin-4-yl)piperidine-4-carboxylic acid?
The InChIKey is FMJYCXOJIGJRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O4/c1-24-15-10-14(19-11-20-15)21-7-5-17(6-8-21,16(22)23)25-13-4-2-3-12(18)9-13/h2-4,9-11H,5-8H2,1H3,(H,22,23).
What are the key properties of 4-(3-fluorophenoxy)-1-(6-methoxypyrimidin-4-yl)piperidine-4-carboxylic acid?
4-(3-fluorophenoxy)-1-(6-methoxypyrimidin-4-yl)piperidine-4-carboxylic acid has a molecular weight of 347.35 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenoxy)-1-(6-methoxypyrimidin-4-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 56912254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).