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

C12H17N3O4 — CID 136959276

IUPAC2-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetic acid
SMILESCOc1c(N2CCC(CC(=O)O)CC2)nc[nH]c1=O
InChIInChI=1S/C12H17N3O4/c1-19-10-11(13-7-14-12(10)18)15-4-2-8(3-5-15)6-9(16)17/h7-8H,2-6H2,1H3,(H,16,17)(H,13,14,18)
InChIKeyQIOUMYQMXGEYDC-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.47
Rot. Bonds4

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

2-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetic acid (PubChem CID 136959276) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetic acid
PubChem CID136959276
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name2-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetic acid
SMILESCOc1c(N2CCC(CC(=O)O)CC2)nc[nH]c1=O
InChIInChI=1S/C12H17N3O4/c1-19-10-11(13-7-14-12(10)18)15-4-2-8(3-5-15)6-9(16)17/h7-8H,2-6H2,1H3,(H,16,17)(H,13,14,18)
InChIKeyQIOUMYQMXGEYDC-UHFFFAOYSA-N
XLogP0.47
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetic acid (CID 136959276) is 2-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetic acid is COc1c(N2CCC(CC(=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]acetic acid?
The InChIKey is QIOUMYQMXGEYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-19-10-11(13-7-14-12(10)18)15-4-2-8(3-5-15)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]acetic acid?
2-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetic acid has a molecular weight of 267.28 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 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]acetic acid is sourced from PubChem (CID 136959276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).