6-methyl-3-(2-morpholin-4-ylethyl)-2-piperidin-1-ylpyrimidin-4-one

C16H26N4O2 — CID 53200954

IUPAC6-methyl-3-(2-morpholin-4-ylethyl)-2-piperidin-1-ylpyrimidin-4-one
SMILESCc1cc(=O)n(CCN2CCOCC2)c(N2CCCCC2)n1
InChIInChI=1S/C16H26N4O2/c1-14-13-15(21)20(8-7-18-9-11-22-12-10-18)16(17-14)19-5-3-2-4-6-19/h13H,2-12H2,1H3
InChIKeyYTBBJYMREQYYJR-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.87
Rot. Bonds4

About 6-methyl-3-(2-morpholin-4-ylethyl)-2-piperidin-1-ylpyrimidin-4-one

6-methyl-3-(2-morpholin-4-ylethyl)-2-piperidin-1-ylpyrimidin-4-one (PubChem CID 53200954) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 6-methyl-3-(2-morpholin-4-ylethyl)-2-piperidin-1-ylpyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-3-(2-morpholin-4-ylethyl)-2-piperidin-1-ylpyrimidin-4-one
PubChem CID53200954
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name6-methyl-3-(2-morpholin-4-ylethyl)-2-piperidin-1-ylpyrimidin-4-one
SMILESCc1cc(=O)n(CCN2CCOCC2)c(N2CCCCC2)n1
InChIInChI=1S/C16H26N4O2/c1-14-13-15(21)20(8-7-18-9-11-22-12-10-18)16(17-14)19-5-3-2-4-6-19/h13H,2-12H2,1H3
InChIKeyYTBBJYMREQYYJR-UHFFFAOYSA-N
XLogP0.87
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(2-morpholin-4-ylethyl)-2-piperidin-1-ylpyrimidin-4-one?
The IUPAC name of 6-methyl-3-(2-morpholin-4-ylethyl)-2-piperidin-1-ylpyrimidin-4-one (CID 53200954) is 6-methyl-3-(2-morpholin-4-ylethyl)-2-piperidin-1-ylpyrimidin-4-one.
What is the SMILES notation for 6-methyl-3-(2-morpholin-4-ylethyl)-2-piperidin-1-ylpyrimidin-4-one?
The canonical SMILES for 6-methyl-3-(2-morpholin-4-ylethyl)-2-piperidin-1-ylpyrimidin-4-one is Cc1cc(=O)n(CCN2CCOCC2)c(N2CCCCC2)n1.
What is the InChIKey of 6-methyl-3-(2-morpholin-4-ylethyl)-2-piperidin-1-ylpyrimidin-4-one?
The InChIKey is YTBBJYMREQYYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-14-13-15(21)20(8-7-18-9-11-22-12-10-18)16(17-14)19-5-3-2-4-6-19/h13H,2-12H2,1H3.
What are the key properties of 6-methyl-3-(2-morpholin-4-ylethyl)-2-piperidin-1-ylpyrimidin-4-one?
6-methyl-3-(2-morpholin-4-ylethyl)-2-piperidin-1-ylpyrimidin-4-one has a molecular weight of 306.41 g/mol, XLogP of 0.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(2-morpholin-4-ylethyl)-2-piperidin-1-ylpyrimidin-4-one is sourced from PubChem (CID 53200954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).