9-bromo-2-piperidin-1-yl-7-propan-2-ylpyrido[1,2-a]pyrimidin-4-one

C16H20BrN3O — CID 170971727

IUPAC9-bromo-2-piperidin-1-yl-7-propan-2-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCC(C)c1cc(Br)c2nc(N3CCCCC3)cc(=O)n2c1
InChIInChI=1S/C16H20BrN3O/c1-11(2)12-8-13(17)16-18-14(9-15(21)20(16)10-12)19-6-4-3-5-7-19/h8-11H,3-7H2,1-2H3
InChIKeyJNCYQIDVXSPNSO-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.57
Rot. Bonds2

About 9-bromo-2-piperidin-1-yl-7-propan-2-ylpyrido[1,2-a]pyrimidin-4-one

9-bromo-2-piperidin-1-yl-7-propan-2-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 170971727) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is 9-bromo-2-piperidin-1-yl-7-propan-2-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-bromo-2-piperidin-1-yl-7-propan-2-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID170971727
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC Name9-bromo-2-piperidin-1-yl-7-propan-2-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCC(C)c1cc(Br)c2nc(N3CCCCC3)cc(=O)n2c1
InChIInChI=1S/C16H20BrN3O/c1-11(2)12-8-13(17)16-18-14(9-15(21)20(16)10-12)19-6-4-3-5-7-19/h8-11H,3-7H2,1-2H3
InChIKeyJNCYQIDVXSPNSO-UHFFFAOYSA-N
XLogP3.57
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-bromo-2-piperidin-1-yl-7-propan-2-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-bromo-2-piperidin-1-yl-7-propan-2-ylpyrido[1,2-a]pyrimidin-4-one (CID 170971727) is 9-bromo-2-piperidin-1-yl-7-propan-2-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-bromo-2-piperidin-1-yl-7-propan-2-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-bromo-2-piperidin-1-yl-7-propan-2-ylpyrido[1,2-a]pyrimidin-4-one is CC(C)c1cc(Br)c2nc(N3CCCCC3)cc(=O)n2c1.
What is the InChIKey of 9-bromo-2-piperidin-1-yl-7-propan-2-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is JNCYQIDVXSPNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-11(2)12-8-13(17)16-18-14(9-15(21)20(16)10-12)19-6-4-3-5-7-19/h8-11H,3-7H2,1-2H3.
What are the key properties of 9-bromo-2-piperidin-1-yl-7-propan-2-ylpyrido[1,2-a]pyrimidin-4-one?
9-bromo-2-piperidin-1-yl-7-propan-2-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 350.26 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-2-piperidin-1-yl-7-propan-2-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 170971727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).