4-hydroxy-2-(1-propanoylpiperidin-3-yl)-1H-pyrimidin-6-one

C12H17N3O3 — CID 154942917

IUPAC4-hydroxy-2-(1-propanoylpiperidin-3-yl)-1H-pyrimidin-6-one
SMILESCCC(=O)N1CCCC(c2nc(O)cc(=O)[nH]2)C1
InChIInChI=1S/C12H17N3O3/c1-2-11(18)15-5-3-4-8(7-15)12-13-9(16)6-10(17)14-12/h6,8H,2-5,7H2,1H3,(H2,13,14,16,17)
InChIKeyGNMJMRCMFBBJCT-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.59
Rot. Bonds2

About 4-hydroxy-2-(1-propanoylpiperidin-3-yl)-1H-pyrimidin-6-one

4-hydroxy-2-(1-propanoylpiperidin-3-yl)-1H-pyrimidin-6-one (PubChem CID 154942917) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-hydroxy-2-(1-propanoylpiperidin-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(1-propanoylpiperidin-3-yl)-1H-pyrimidin-6-one
PubChem CID154942917
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name4-hydroxy-2-(1-propanoylpiperidin-3-yl)-1H-pyrimidin-6-one
SMILESCCC(=O)N1CCCC(c2nc(O)cc(=O)[nH]2)C1
InChIInChI=1S/C12H17N3O3/c1-2-11(18)15-5-3-4-8(7-15)12-13-9(16)6-10(17)14-12/h6,8H,2-5,7H2,1H3,(H2,13,14,16,17)
InChIKeyGNMJMRCMFBBJCT-UHFFFAOYSA-N
XLogP0.59
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(1-propanoylpiperidin-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(1-propanoylpiperidin-3-yl)-1H-pyrimidin-6-one (CID 154942917) is 4-hydroxy-2-(1-propanoylpiperidin-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(1-propanoylpiperidin-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(1-propanoylpiperidin-3-yl)-1H-pyrimidin-6-one is CCC(=O)N1CCCC(c2nc(O)cc(=O)[nH]2)C1.
What is the InChIKey of 4-hydroxy-2-(1-propanoylpiperidin-3-yl)-1H-pyrimidin-6-one?
The InChIKey is GNMJMRCMFBBJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-2-11(18)15-5-3-4-8(7-15)12-13-9(16)6-10(17)14-12/h6,8H,2-5,7H2,1H3,(H2,13,14,16,17).
What are the key properties of 4-hydroxy-2-(1-propanoylpiperidin-3-yl)-1H-pyrimidin-6-one?
4-hydroxy-2-(1-propanoylpiperidin-3-yl)-1H-pyrimidin-6-one has a molecular weight of 251.29 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(1-propanoylpiperidin-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 154942917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).