1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one

C12H17N3O3 — CID 43430309

IUPAC1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one
SMILESO=C(Cn1cccnc1=O)N1CCCCC1CO
InChIInChI=1S/C12H17N3O3/c16-9-10-4-1-2-7-15(10)11(17)8-14-6-3-5-13-12(14)18/h3,5-6,10,16H,1-2,4,7-9H2
InChIKeyUHOMFMVWKQHSBU-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.38
Rot. Bonds3

About 1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one

1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one (PubChem CID 43430309) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one
PubChem CID43430309
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one
SMILESO=C(Cn1cccnc1=O)N1CCCCC1CO
InChIInChI=1S/C12H17N3O3/c16-9-10-4-1-2-7-15(10)11(17)8-14-6-3-5-13-12(14)18/h3,5-6,10,16H,1-2,4,7-9H2
InChIKeyUHOMFMVWKQHSBU-UHFFFAOYSA-N
XLogP-0.38
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one?
The IUPAC name of 1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one (CID 43430309) is 1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one.
What is the SMILES notation for 1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one?
The canonical SMILES for 1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one is O=C(Cn1cccnc1=O)N1CCCCC1CO.
What is the InChIKey of 1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one?
The InChIKey is UHOMFMVWKQHSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c16-9-10-4-1-2-7-15(10)11(17)8-14-6-3-5-13-12(14)18/h3,5-6,10,16H,1-2,4,7-9H2.
What are the key properties of 1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one?
1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one has a molecular weight of 251.29 g/mol, XLogP of -0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one is sourced from PubChem (CID 43430309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).