3-hydroxy-1-(2-methoxyethyl)-3-[(4-pyrimidin-2-yloxypiperidin-1-yl)methyl]piperidin-2-one

C18H28N4O4 — CID 56742436

IUPAC3-hydroxy-1-(2-methoxyethyl)-3-[(4-pyrimidin-2-yloxypiperidin-1-yl)methyl]piperidin-2-one
SMILESCOCCN1CCCC(O)(CN2CCC(Oc3ncccn3)CC2)C1=O
InChIInChI=1S/C18H28N4O4/c1-25-13-12-22-9-2-6-18(24,16(22)23)14-21-10-4-15(5-11-21)26-17-19-7-3-8-20-17/h3,7-8,15,24H,2,4-6,9-14H2,1H3
InChIKeyACTRUCIFWBZOTK-UHFFFAOYSA-N
MW364.45 g/mol
LogP0.32
Rot. Bonds7

About 3-hydroxy-1-(2-methoxyethyl)-3-[(4-pyrimidin-2-yloxypiperidin-1-yl)methyl]piperidin-2-one

3-hydroxy-1-(2-methoxyethyl)-3-[(4-pyrimidin-2-yloxypiperidin-1-yl)methyl]piperidin-2-one (PubChem CID 56742436) has the molecular formula C18H28N4O4 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-hydroxy-1-(2-methoxyethyl)-3-[(4-pyrimidin-2-yloxypiperidin-1-yl)methyl]piperidin-2-one.

Molecular Properties

Compound Name3-hydroxy-1-(2-methoxyethyl)-3-[(4-pyrimidin-2-yloxypiperidin-1-yl)methyl]piperidin-2-one
PubChem CID56742436
Molecular FormulaC18H28N4O4
Molecular Weight364.45 g/mol
Exact Mass364.21
IUPAC Name3-hydroxy-1-(2-methoxyethyl)-3-[(4-pyrimidin-2-yloxypiperidin-1-yl)methyl]piperidin-2-one
SMILESCOCCN1CCCC(O)(CN2CCC(Oc3ncccn3)CC2)C1=O
InChIInChI=1S/C18H28N4O4/c1-25-13-12-22-9-2-6-18(24,16(22)23)14-21-10-4-15(5-11-21)26-17-19-7-3-8-20-17/h3,7-8,15,24H,2,4-6,9-14H2,1H3
InChIKeyACTRUCIFWBZOTK-UHFFFAOYSA-N
XLogP0.32
TPSA88.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-(2-methoxyethyl)-3-[(4-pyrimidin-2-yloxypiperidin-1-yl)methyl]piperidin-2-one?
The IUPAC name of 3-hydroxy-1-(2-methoxyethyl)-3-[(4-pyrimidin-2-yloxypiperidin-1-yl)methyl]piperidin-2-one (CID 56742436) is 3-hydroxy-1-(2-methoxyethyl)-3-[(4-pyrimidin-2-yloxypiperidin-1-yl)methyl]piperidin-2-one.
What is the SMILES notation for 3-hydroxy-1-(2-methoxyethyl)-3-[(4-pyrimidin-2-yloxypiperidin-1-yl)methyl]piperidin-2-one?
The canonical SMILES for 3-hydroxy-1-(2-methoxyethyl)-3-[(4-pyrimidin-2-yloxypiperidin-1-yl)methyl]piperidin-2-one is COCCN1CCCC(O)(CN2CCC(Oc3ncccn3)CC2)C1=O.
What is the InChIKey of 3-hydroxy-1-(2-methoxyethyl)-3-[(4-pyrimidin-2-yloxypiperidin-1-yl)methyl]piperidin-2-one?
The InChIKey is ACTRUCIFWBZOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O4/c1-25-13-12-22-9-2-6-18(24,16(22)23)14-21-10-4-15(5-11-21)26-17-19-7-3-8-20-17/h3,7-8,15,24H,2,4-6,9-14H2,1H3.
What are the key properties of 3-hydroxy-1-(2-methoxyethyl)-3-[(4-pyrimidin-2-yloxypiperidin-1-yl)methyl]piperidin-2-one?
3-hydroxy-1-(2-methoxyethyl)-3-[(4-pyrimidin-2-yloxypiperidin-1-yl)methyl]piperidin-2-one has a molecular weight of 364.45 g/mol, XLogP of 0.32, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-(2-methoxyethyl)-3-[(4-pyrimidin-2-yloxypiperidin-1-yl)methyl]piperidin-2-one is sourced from PubChem (CID 56742436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).