4-(2-piperidin-1-ylethoxy)-2-propan-2-yl-1H-pyrimidin-6-one

C14H23N3O2 — CID 103241398

IUPAC4-(2-piperidin-1-ylethoxy)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(OCCN2CCCCC2)cc(=O)[nH]1
InChIInChI=1S/C14H23N3O2/c1-11(2)14-15-12(18)10-13(16-14)19-9-8-17-6-4-3-5-7-17/h10-11H,3-9H2,1-2H3,(H,15,16,18)
InChIKeyHFBGHYGMFVMXSJ-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.76
Rot. Bonds5

About 4-(2-piperidin-1-ylethoxy)-2-propan-2-yl-1H-pyrimidin-6-one

4-(2-piperidin-1-ylethoxy)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 103241398) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-(2-piperidin-1-ylethoxy)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-piperidin-1-ylethoxy)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID103241398
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name4-(2-piperidin-1-ylethoxy)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(OCCN2CCCCC2)cc(=O)[nH]1
InChIInChI=1S/C14H23N3O2/c1-11(2)14-15-12(18)10-13(16-14)19-9-8-17-6-4-3-5-7-17/h10-11H,3-9H2,1-2H3,(H,15,16,18)
InChIKeyHFBGHYGMFVMXSJ-UHFFFAOYSA-N
XLogP1.76
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(6-methylmorpholin-2-yl)methoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 102634872
2-cyclopropyl-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 102635338
2-cyclopropyl-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one
CID 102741497
4-[2-[cyclopropyl(methyl)amino]ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 102741502
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
2-cyclopropyl-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one
CID 103241378
4-[2-(dimethylamino)ethoxy]-2-ethyl-1H-pyrimidin-6-one
CID 103241382
4-[2-(dimethylamino)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 103241384
2-cyclopropyl-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 103241387
2-methyl-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 103241391

Frequently Asked Questions

What is the IUPAC name of 4-(2-piperidin-1-ylethoxy)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-piperidin-1-ylethoxy)-2-propan-2-yl-1H-pyrimidin-6-one (CID 103241398) is 4-(2-piperidin-1-ylethoxy)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-piperidin-1-ylethoxy)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-piperidin-1-ylethoxy)-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(OCCN2CCCCC2)cc(=O)[nH]1.
What is the InChIKey of 4-(2-piperidin-1-ylethoxy)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is HFBGHYGMFVMXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11(2)14-15-12(18)10-13(16-14)19-9-8-17-6-4-3-5-7-17/h10-11H,3-9H2,1-2H3,(H,15,16,18).
What are the key properties of 4-(2-piperidin-1-ylethoxy)-2-propan-2-yl-1H-pyrimidin-6-one?
4-(2-piperidin-1-ylethoxy)-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 265.36 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-piperidin-1-ylethoxy)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 103241398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).