6-methyl-2-piperidin-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

C14H21N3O — CID 115054795

IUPAC6-methyl-2-piperidin-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCC1CCCc2nc(C3CCCCN3)cc(=O)n21
InChIInChI=1S/C14H21N3O/c1-10-5-4-7-13-16-12(9-14(18)17(10)13)11-6-2-3-8-15-11/h9-11,15H,2-8H2,1H3
InChIKeyVBHGGZWNRXYSOY-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.96
Rot. Bonds1

About 6-methyl-2-piperidin-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

6-methyl-2-piperidin-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 115054795) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 6-methyl-2-piperidin-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-2-piperidin-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID115054795
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name6-methyl-2-piperidin-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCC1CCCc2nc(C3CCCCN3)cc(=O)n21
InChIInChI=1S/C14H21N3O/c1-10-5-4-7-13-16-12(9-14(18)17(10)13)11-6-2-3-8-15-11/h9-11,15H,2-8H2,1H3
InChIKeyVBHGGZWNRXYSOY-UHFFFAOYSA-N
XLogP1.96
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-piperidin-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 6-methyl-2-piperidin-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 115054795) is 6-methyl-2-piperidin-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-2-piperidin-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 6-methyl-2-piperidin-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is CC1CCCc2nc(C3CCCCN3)cc(=O)n21.
What is the InChIKey of 6-methyl-2-piperidin-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is VBHGGZWNRXYSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-5-4-7-13-16-12(9-14(18)17(10)13)11-6-2-3-8-15-11/h9-11,15H,2-8H2,1H3.
What are the key properties of 6-methyl-2-piperidin-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
6-methyl-2-piperidin-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 247.34 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-piperidin-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 115054795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).