4-piperidin-2-yl-2,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidin-1-one

C13H23N3O — CID 84741184

IUPAC4-piperidin-2-yl-2,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidin-1-one
SMILESO=C1NCC(C2CCCCN2)C2CCCCN12
InChIInChI=1S/C13H23N3O/c17-13-15-9-10(11-5-1-3-7-14-11)12-6-2-4-8-16(12)13/h10-12,14H,1-9H2,(H,15,17)
InChIKeyOMPCXOBBVLARSR-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.32
Rot. Bonds1

About 4-piperidin-2-yl-2,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidin-1-one

4-piperidin-2-yl-2,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidin-1-one (PubChem CID 84741184) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-piperidin-2-yl-2,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidin-1-one.

Molecular Properties

Compound Name4-piperidin-2-yl-2,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidin-1-one
PubChem CID84741184
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name4-piperidin-2-yl-2,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidin-1-one
SMILESO=C1NCC(C2CCCCN2)C2CCCCN12
InChIInChI=1S/C13H23N3O/c17-13-15-9-10(11-5-1-3-7-14-11)12-6-2-4-8-16(12)13/h10-12,14H,1-9H2,(H,15,17)
InChIKeyOMPCXOBBVLARSR-UHFFFAOYSA-N
XLogP1.32
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-piperidin-2-yl-2,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidin-1-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-2-yl-2,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidin-1-one?
The IUPAC name of 4-piperidin-2-yl-2,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidin-1-one (CID 84741184) is 4-piperidin-2-yl-2,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidin-1-one.
What is the SMILES notation for 4-piperidin-2-yl-2,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidin-1-one?
The canonical SMILES for 4-piperidin-2-yl-2,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidin-1-one is O=C1NCC(C2CCCCN2)C2CCCCN12.
What is the InChIKey of 4-piperidin-2-yl-2,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidin-1-one?
The InChIKey is OMPCXOBBVLARSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c17-13-15-9-10(11-5-1-3-7-14-11)12-6-2-4-8-16(12)13/h10-12,14H,1-9H2,(H,15,17).
What are the key properties of 4-piperidin-2-yl-2,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidin-1-one?
4-piperidin-2-yl-2,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidin-1-one has a molecular weight of 237.35 g/mol, XLogP of 1.32, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-2-yl-2,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidin-1-one is sourced from PubChem (CID 84741184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).