2-[1-(2-hydroxyacetyl)piperidin-4-yl]-4-methyl-1H-pyrimidin-6-one

C12H17N3O3 — CID 136864184

IUPAC2-[1-(2-hydroxyacetyl)piperidin-4-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(C2CCN(C(=O)CO)CC2)n1
InChIInChI=1S/C12H17N3O3/c1-8-6-10(17)14-12(13-8)9-2-4-15(5-3-9)11(18)7-16/h6,9,16H,2-5,7H2,1H3,(H,13,14,17)
InChIKeyLDKFQZFMWYBFKM-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.22
Rot. Bonds2

About 2-[1-(2-hydroxyacetyl)piperidin-4-yl]-4-methyl-1H-pyrimidin-6-one

2-[1-(2-hydroxyacetyl)piperidin-4-yl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 136864184) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[1-(2-hydroxyacetyl)piperidin-4-yl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[1-(2-hydroxyacetyl)piperidin-4-yl]-4-methyl-1H-pyrimidin-6-one
PubChem CID136864184
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-[1-(2-hydroxyacetyl)piperidin-4-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(C2CCN(C(=O)CO)CC2)n1
InChIInChI=1S/C12H17N3O3/c1-8-6-10(17)14-12(13-8)9-2-4-15(5-3-9)11(18)7-16/h6,9,16H,2-5,7H2,1H3,(H,13,14,17)
InChIKeyLDKFQZFMWYBFKM-UHFFFAOYSA-N
XLogP-0.22
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 ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxyacetyl)piperidin-4-yl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[1-(2-hydroxyacetyl)piperidin-4-yl]-4-methyl-1H-pyrimidin-6-one (CID 136864184) is 2-[1-(2-hydroxyacetyl)piperidin-4-yl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[1-(2-hydroxyacetyl)piperidin-4-yl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[1-(2-hydroxyacetyl)piperidin-4-yl]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(C2CCN(C(=O)CO)CC2)n1.
What is the InChIKey of 2-[1-(2-hydroxyacetyl)piperidin-4-yl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is LDKFQZFMWYBFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-8-6-10(17)14-12(13-8)9-2-4-15(5-3-9)11(18)7-16/h6,9,16H,2-5,7H2,1H3,(H,13,14,17).
What are the key properties of 2-[1-(2-hydroxyacetyl)piperidin-4-yl]-4-methyl-1H-pyrimidin-6-one?
2-[1-(2-hydroxyacetyl)piperidin-4-yl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 251.29 g/mol, XLogP of -0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxyacetyl)piperidin-4-yl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136864184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).