6-morpholin-4-yl-4-piperidin-1-yl-1H-pyrimidin-2-one

C13H20N4O2 — CID 155531007

IUPAC6-morpholin-4-yl-4-piperidin-1-yl-1H-pyrimidin-2-one
SMILESO=c1nc(N2CCCCC2)cc(N2CCOCC2)[nH]1
InChIInChI=1S/C13H20N4O2/c18-13-14-11(16-4-2-1-3-5-16)10-12(15-13)17-6-8-19-9-7-17/h10H,1-9H2,(H,14,15,18)
InChIKeyAVPQEBQWNIDYNC-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.60
Rot. Bonds2

About 6-morpholin-4-yl-4-piperidin-1-yl-1H-pyrimidin-2-one

6-morpholin-4-yl-4-piperidin-1-yl-1H-pyrimidin-2-one (PubChem CID 155531007) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 6-morpholin-4-yl-4-piperidin-1-yl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-morpholin-4-yl-4-piperidin-1-yl-1H-pyrimidin-2-one
PubChem CID155531007
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name6-morpholin-4-yl-4-piperidin-1-yl-1H-pyrimidin-2-one
SMILESO=c1nc(N2CCCCC2)cc(N2CCOCC2)[nH]1
InChIInChI=1S/C13H20N4O2/c18-13-14-11(16-4-2-1-3-5-16)10-12(15-13)17-6-8-19-9-7-17/h10H,1-9H2,(H,14,15,18)
InChIKeyAVPQEBQWNIDYNC-UHFFFAOYSA-N
XLogP0.60
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-4-piperidin-1-yl-1H-pyrimidin-2-one?
The IUPAC name of 6-morpholin-4-yl-4-piperidin-1-yl-1H-pyrimidin-2-one (CID 155531007) is 6-morpholin-4-yl-4-piperidin-1-yl-1H-pyrimidin-2-one.
What is the SMILES notation for 6-morpholin-4-yl-4-piperidin-1-yl-1H-pyrimidin-2-one?
The canonical SMILES for 6-morpholin-4-yl-4-piperidin-1-yl-1H-pyrimidin-2-one is O=c1nc(N2CCCCC2)cc(N2CCOCC2)[nH]1.
What is the InChIKey of 6-morpholin-4-yl-4-piperidin-1-yl-1H-pyrimidin-2-one?
The InChIKey is AVPQEBQWNIDYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c18-13-14-11(16-4-2-1-3-5-16)10-12(15-13)17-6-8-19-9-7-17/h10H,1-9H2,(H,14,15,18).
What are the key properties of 6-morpholin-4-yl-4-piperidin-1-yl-1H-pyrimidin-2-one?
6-morpholin-4-yl-4-piperidin-1-yl-1H-pyrimidin-2-one has a molecular weight of 264.33 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-4-piperidin-1-yl-1H-pyrimidin-2-one is sourced from PubChem (CID 155531007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).