4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one

C11H17N3O2 — CID 114586435

IUPAC4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one
SMILESO=c1cc(OCCC2CCCNC2)nc[nH]1
InChIInChI=1S/C11H17N3O2/c15-10-6-11(14-8-13-10)16-5-3-9-2-1-4-12-7-9/h6,8-9,12H,1-5,7H2,(H,13,14,15)
InChIKeyLDFTVKSJMHOSIN-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.54
Rot. Bonds4

About 4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one

4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one (PubChem CID 114586435) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one
PubChem CID114586435
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one
SMILESO=c1cc(OCCC2CCCNC2)nc[nH]1
InChIInChI=1S/C11H17N3O2/c15-10-6-11(14-8-13-10)16-5-3-9-2-1-4-12-7-9/h6,8-9,12H,1-5,7H2,(H,13,14,15)
InChIKeyLDFTVKSJMHOSIN-UHFFFAOYSA-N
XLogP0.54
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(Cyclohexylmethoxy)pyrimidin-4-ol
CID 103241610
4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 102954690
4-(2-ethylhexoxy)-1H-pyrimidin-6-one
CID 103240464
4-(piperidin-4-ylmethoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 113604864
2-ethyl-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 113604874
5-methoxy-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 113604875
2-methyl-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 113604876
4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one
CID 114586345
2-ethyl-4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one
CID 114586346
2-methyl-4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one
CID 114586351
5-iodo-4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one
CID 114586352
4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one
CID 114586374

Frequently Asked Questions

What is the IUPAC name of 4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one (CID 114586435) is 4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one is O=c1cc(OCCC2CCCNC2)nc[nH]1.
What is the InChIKey of 4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one?
The InChIKey is LDFTVKSJMHOSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c15-10-6-11(14-8-13-10)16-5-3-9-2-1-4-12-7-9/h6,8-9,12H,1-5,7H2,(H,13,14,15).
What are the key properties of 4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one?
4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 114586435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).