4-(5-methyl-2-phenoxypyrimidin-4-yl)oxypiperidine-1-carboxylic acid

C17H19N3O4 — CID 90854596

IUPAC4-(5-methyl-2-phenoxypyrimidin-4-yl)oxypiperidine-1-carboxylic acid
SMILESCc1cnc(Oc2ccccc2)nc1OC1CCN(C(=O)O)CC1
InChIInChI=1S/C17H19N3O4/c1-12-11-18-16(24-13-5-3-2-4-6-13)19-15(12)23-14-7-9-20(10-8-14)17(21)22/h2-6,11,14H,7-10H2,1H3,(H,21,22)
InChIKeyLKLZLFOKCZLKDX-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.10
Rot. Bonds4

About 4-(5-methyl-2-phenoxypyrimidin-4-yl)oxypiperidine-1-carboxylic acid

4-(5-methyl-2-phenoxypyrimidin-4-yl)oxypiperidine-1-carboxylic acid (PubChem CID 90854596) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 4-(5-methyl-2-phenoxypyrimidin-4-yl)oxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(5-methyl-2-phenoxypyrimidin-4-yl)oxypiperidine-1-carboxylic acid
PubChem CID90854596
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name4-(5-methyl-2-phenoxypyrimidin-4-yl)oxypiperidine-1-carboxylic acid
SMILESCc1cnc(Oc2ccccc2)nc1OC1CCN(C(=O)O)CC1
InChIInChI=1S/C17H19N3O4/c1-12-11-18-16(24-13-5-3-2-4-6-13)19-15(12)23-14-7-9-20(10-8-14)17(21)22/h2-6,11,14H,7-10H2,1H3,(H,21,22)
InChIKeyLKLZLFOKCZLKDX-UHFFFAOYSA-N
XLogP3.10
TPSA84.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-2-phenoxypyrimidin-4-yl)oxypiperidine-1-carboxylic acid?
The IUPAC name of 4-(5-methyl-2-phenoxypyrimidin-4-yl)oxypiperidine-1-carboxylic acid (CID 90854596) is 4-(5-methyl-2-phenoxypyrimidin-4-yl)oxypiperidine-1-carboxylic acid.
What is the SMILES notation for 4-(5-methyl-2-phenoxypyrimidin-4-yl)oxypiperidine-1-carboxylic acid?
The canonical SMILES for 4-(5-methyl-2-phenoxypyrimidin-4-yl)oxypiperidine-1-carboxylic acid is Cc1cnc(Oc2ccccc2)nc1OC1CCN(C(=O)O)CC1.
What is the InChIKey of 4-(5-methyl-2-phenoxypyrimidin-4-yl)oxypiperidine-1-carboxylic acid?
The InChIKey is LKLZLFOKCZLKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-12-11-18-16(24-13-5-3-2-4-6-13)19-15(12)23-14-7-9-20(10-8-14)17(21)22/h2-6,11,14H,7-10H2,1H3,(H,21,22).
What are the key properties of 4-(5-methyl-2-phenoxypyrimidin-4-yl)oxypiperidine-1-carboxylic acid?
4-(5-methyl-2-phenoxypyrimidin-4-yl)oxypiperidine-1-carboxylic acid has a molecular weight of 329.36 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-2-phenoxypyrimidin-4-yl)oxypiperidine-1-carboxylic acid is sourced from PubChem (CID 90854596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).