4-(3-methoxy-4-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one

C14H23N3O2 — CID 136702379

IUPAC4-(3-methoxy-4-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCOC1CN(c2cc(=O)[nH]c(C(C)C)n2)CCC1C
InChIInChI=1S/C14H23N3O2/c1-9(2)14-15-12(7-13(18)16-14)17-6-5-10(3)11(8-17)19-4/h7,9-11H,5-6,8H2,1-4H3,(H,15,16,18)
InChIKeyTYQREZBSDRGIFU-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.75
Rot. Bonds3

About 4-(3-methoxy-4-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one

4-(3-methoxy-4-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136702379) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-(3-methoxy-4-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-methoxy-4-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136702379
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name4-(3-methoxy-4-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCOC1CN(c2cc(=O)[nH]c(C(C)C)n2)CCC1C
InChIInChI=1S/C14H23N3O2/c1-9(2)14-15-12(7-13(18)16-14)17-6-5-10(3)11(8-17)19-4/h7,9-11H,5-6,8H2,1-4H3,(H,15,16,18)
InChIKeyTYQREZBSDRGIFU-UHFFFAOYSA-N
XLogP1.75
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methylpiperidin-3-yl)oxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 102954448
2-methyl-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 102954539
2-cyclopropyl-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 102954733
4-(2-piperidin-1-ylethoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 103241398
2-ethyl-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one
CID 104939638
4-[(3S)-piperidin-3-yl]oxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 104939639
4-(piperidin-4-ylmethoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 113604864
4-piperidin-3-yloxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 113604870
2-cyclopropyl-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one
CID 113604897
2-ethyl-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 113756889
2-ethyl-4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one
CID 114586346
2-ethyl-4-piperidin-3-yloxy-1H-pyrimidin-6-one
CID 114586400

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-4-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-methoxy-4-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one (CID 136702379) is 4-(3-methoxy-4-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-methoxy-4-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-methoxy-4-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one is COC1CN(c2cc(=O)[nH]c(C(C)C)n2)CCC1C.
What is the InChIKey of 4-(3-methoxy-4-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is TYQREZBSDRGIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-9(2)14-15-12(7-13(18)16-14)17-6-5-10(3)11(8-17)19-4/h7,9-11H,5-6,8H2,1-4H3,(H,15,16,18).
What are the key properties of 4-(3-methoxy-4-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
4-(3-methoxy-4-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 265.36 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-4-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136702379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).