4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one

C9H13N3O2 — CID 104939637

IUPAC4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one
SMILESO=c1cc(O[C@H]2CCCNC2)nc[nH]1
InChIInChI=1S/C9H13N3O2/c13-8-4-9(12-6-11-8)14-7-2-1-3-10-5-7/h4,6-7,10H,1-3,5H2,(H,11,12,13)/t7-/m0/s1
InChIKeyGNXUDCLHVPCVMU-ZETCQYMHSA-N
MW195.22 g/mol
LogP-0.10
Rot. Bonds2

About 4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one

4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one (PubChem CID 104939637) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one
PubChem CID104939637
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one
SMILESO=c1cc(O[C@H]2CCCNC2)nc[nH]1
InChIInChI=1S/C9H13N3O2/c13-8-4-9(12-6-11-8)14-7-2-1-3-10-5-7/h4,6-7,10H,1-3,5H2,(H,11,12,13)/t7-/m0/s1
InChIKeyGNXUDCLHVPCVMU-ZETCQYMHSA-N
XLogP-0.10
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R,4R)-4-fluoropiperidin-3-yl]oxy-1H-pyrimidin-6-one
CID 67960576
2-[(3S,4S)-4-fluoropiperidin-3-yl]oxy-1H-pyrimidin-6-one
CID 89943402
4-[(3R)-pyrrolidin-3-yl]oxy-1H-pyrimidin-6-one
CID 66569894
4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 102635254
2-methyl-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 102954539
5-iodo-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 102954540
4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 102954690
4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 103241394
4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one
CID 103241487
4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 103241701
5-chloro-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one
CID 104939636
2-ethyl-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one
CID 104939638

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one (CID 104939637) is 4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one is O=c1cc(O[C@H]2CCCNC2)nc[nH]1.
What is the InChIKey of 4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one?
The InChIKey is GNXUDCLHVPCVMU-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H13N3O2/c13-8-4-9(12-6-11-8)14-7-2-1-3-10-5-7/h4,6-7,10H,1-3,5H2,(H,11,12,13)/t7-/m0/s1.
What are the key properties of 4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one?
4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one has a molecular weight of 195.22 g/mol, XLogP of -0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one is sourced from PubChem (CID 104939637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).