3-hydroxy-4-oxo-7-piperidin-1-ylpyrido[1,2-a]pyrimidine-2-carboxylic acid

C14H15N3O4 — CID 91047313

IUPAC3-hydroxy-4-oxo-7-piperidin-1-ylpyrido[1,2-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1nc2ccc(N3CCCCC3)cn2c(=O)c1O
InChIInChI=1S/C14H15N3O4/c18-12-11(14(20)21)15-10-5-4-9(8-17(10)13(12)19)16-6-2-1-3-7-16/h4-5,8,18H,1-3,6-7H2,(H,20,21)
InChIKeyYBCUPKSMCJRWPP-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.09
Rot. Bonds2

About 3-hydroxy-4-oxo-7-piperidin-1-ylpyrido[1,2-a]pyrimidine-2-carboxylic acid

3-hydroxy-4-oxo-7-piperidin-1-ylpyrido[1,2-a]pyrimidine-2-carboxylic acid (PubChem CID 91047313) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 3-hydroxy-4-oxo-7-piperidin-1-ylpyrido[1,2-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-4-oxo-7-piperidin-1-ylpyrido[1,2-a]pyrimidine-2-carboxylic acid
PubChem CID91047313
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name3-hydroxy-4-oxo-7-piperidin-1-ylpyrido[1,2-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1nc2ccc(N3CCCCC3)cn2c(=O)c1O
InChIInChI=1S/C14H15N3O4/c18-12-11(14(20)21)15-10-5-4-9(8-17(10)13(12)19)16-6-2-1-3-7-16/h4-5,8,18H,1-3,6-7H2,(H,20,21)
InChIKeyYBCUPKSMCJRWPP-UHFFFAOYSA-N
XLogP1.09
TPSA95.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-oxo-7-piperidin-1-ylpyrido[1,2-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 3-hydroxy-4-oxo-7-piperidin-1-ylpyrido[1,2-a]pyrimidine-2-carboxylic acid (CID 91047313) is 3-hydroxy-4-oxo-7-piperidin-1-ylpyrido[1,2-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 3-hydroxy-4-oxo-7-piperidin-1-ylpyrido[1,2-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 3-hydroxy-4-oxo-7-piperidin-1-ylpyrido[1,2-a]pyrimidine-2-carboxylic acid is O=C(O)c1nc2ccc(N3CCCCC3)cn2c(=O)c1O.
What is the InChIKey of 3-hydroxy-4-oxo-7-piperidin-1-ylpyrido[1,2-a]pyrimidine-2-carboxylic acid?
The InChIKey is YBCUPKSMCJRWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c18-12-11(14(20)21)15-10-5-4-9(8-17(10)13(12)19)16-6-2-1-3-7-16/h4-5,8,18H,1-3,6-7H2,(H,20,21).
What are the key properties of 3-hydroxy-4-oxo-7-piperidin-1-ylpyrido[1,2-a]pyrimidine-2-carboxylic acid?
3-hydroxy-4-oxo-7-piperidin-1-ylpyrido[1,2-a]pyrimidine-2-carboxylic acid has a molecular weight of 289.29 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-oxo-7-piperidin-1-ylpyrido[1,2-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 91047313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).