methyl 3-hydroxy-4-oxo-7-piperidin-1-ylpyrido[1,2-a]pyrimidine-2-carboxylate

C15H17N3O4 — CID 58101059

IUPACmethyl 3-hydroxy-4-oxo-7-piperidin-1-ylpyrido[1,2-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc2ccc(N3CCCCC3)cn2c(=O)c1O
InChIInChI=1S/C15H17N3O4/c1-22-15(21)12-13(19)14(20)18-9-10(5-6-11(18)16-12)17-7-3-2-4-8-17/h5-6,9,19H,2-4,7-8H2,1H3
InChIKeyDKAVFQFNEGXHNC-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.18
Rot. Bonds2

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

methyl 3-hydroxy-4-oxo-7-piperidin-1-ylpyrido[1,2-a]pyrimidine-2-carboxylate (PubChem CID 58101059) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is methyl 3-hydroxy-4-oxo-7-piperidin-1-ylpyrido[1,2-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-hydroxy-4-oxo-7-piperidin-1-ylpyrido[1,2-a]pyrimidine-2-carboxylate
PubChem CID58101059
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Namemethyl 3-hydroxy-4-oxo-7-piperidin-1-ylpyrido[1,2-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc2ccc(N3CCCCC3)cn2c(=O)c1O
InChIInChI=1S/C15H17N3O4/c1-22-15(21)12-13(19)14(20)18-9-10(5-6-11(18)16-12)17-7-3-2-4-8-17/h5-6,9,19H,2-4,7-8H2,1H3
InChIKeyDKAVFQFNEGXHNC-UHFFFAOYSA-N
XLogP1.18
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-4-oxo-7-piperidin-1-ylpyrido[1,2-a]pyrimidine-2-carboxylate?
The IUPAC name of methyl 3-hydroxy-4-oxo-7-piperidin-1-ylpyrido[1,2-a]pyrimidine-2-carboxylate (CID 58101059) is methyl 3-hydroxy-4-oxo-7-piperidin-1-ylpyrido[1,2-a]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 3-hydroxy-4-oxo-7-piperidin-1-ylpyrido[1,2-a]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 3-hydroxy-4-oxo-7-piperidin-1-ylpyrido[1,2-a]pyrimidine-2-carboxylate is COC(=O)c1nc2ccc(N3CCCCC3)cn2c(=O)c1O.
What is the InChIKey of methyl 3-hydroxy-4-oxo-7-piperidin-1-ylpyrido[1,2-a]pyrimidine-2-carboxylate?
The InChIKey is DKAVFQFNEGXHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-22-15(21)12-13(19)14(20)18-9-10(5-6-11(18)16-12)17-7-3-2-4-8-17/h5-6,9,19H,2-4,7-8H2,1H3.
What are the key properties of methyl 3-hydroxy-4-oxo-7-piperidin-1-ylpyrido[1,2-a]pyrimidine-2-carboxylate?
methyl 3-hydroxy-4-oxo-7-piperidin-1-ylpyrido[1,2-a]pyrimidine-2-carboxylate has a molecular weight of 303.32 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-4-oxo-7-piperidin-1-ylpyrido[1,2-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 58101059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).