2-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid

C12H17N3O5 — CID 136958929

IUPAC2-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid
SMILESCOc1c(N2CCC(OCC(=O)O)CC2)nc[nH]c1=O
InChIInChI=1S/C12H17N3O5/c1-19-10-11(13-7-14-12(10)18)15-4-2-8(3-5-15)20-6-9(16)17/h7-8H,2-6H2,1H3,(H,16,17)(H,13,14,18)
InChIKeyWMFMVHWZLBGAEJ-UHFFFAOYSA-N
MW283.28 g/mol
LogP-0.15
Rot. Bonds5

About 2-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid

2-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid (PubChem CID 136958929) has the molecular formula C12H17N3O5 and a molecular weight of 283.28 g/mol. Its IUPAC name is 2-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid
PubChem CID136958929
Molecular FormulaC12H17N3O5
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Name2-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid
SMILESCOc1c(N2CCC(OCC(=O)O)CC2)nc[nH]c1=O
InChIInChI=1S/C12H17N3O5/c1-19-10-11(13-7-14-12(10)18)15-4-2-8(3-5-15)20-6-9(16)17/h7-8H,2-6H2,1H3,(H,16,17)(H,13,14,18)
InChIKeyWMFMVHWZLBGAEJ-UHFFFAOYSA-N
XLogP-0.15
TPSA104.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid (CID 136958929) is 2-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid is COc1c(N2CCC(OCC(=O)O)CC2)nc[nH]c1=O.
What is the InChIKey of 2-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid?
The InChIKey is WMFMVHWZLBGAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5/c1-19-10-11(13-7-14-12(10)18)15-4-2-8(3-5-15)20-6-9(16)17/h7-8H,2-6H2,1H3,(H,16,17)(H,13,14,18).
What are the key properties of 2-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid?
2-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid has a molecular weight of 283.28 g/mol, XLogP of -0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 136958929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).