1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione

C13H19N3O4 — CID 43430091

IUPAC1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione
SMILESCn1c(=O)ccn(CC(=O)N2CCCCC2CO)c1=O
InChIInChI=1S/C13H19N3O4/c1-14-11(18)5-7-15(13(14)20)8-12(19)16-6-3-2-4-10(16)9-17/h5,7,10,17H,2-4,6,8-9H2,1H3
InChIKeyQWLPSWSYZNVNNY-UHFFFAOYSA-N
MW281.31 g/mol
LogP-1.08
Rot. Bonds3

About 1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione

1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione (PubChem CID 43430091) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione
PubChem CID43430091
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione
SMILESCn1c(=O)ccn(CC(=O)N2CCCCC2CO)c1=O
InChIInChI=1S/C13H19N3O4/c1-14-11(18)5-7-15(13(14)20)8-12(19)16-6-3-2-4-10(16)9-17/h5,7,10,17H,2-4,6,8-9H2,1H3
InChIKeyQWLPSWSYZNVNNY-UHFFFAOYSA-N
XLogP-1.08
TPSA84.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 5-1.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione (CID 43430091) is 1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione is Cn1c(=O)ccn(CC(=O)N2CCCCC2CO)c1=O.
What is the InChIKey of 1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione?
The InChIKey is QWLPSWSYZNVNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-14-11(18)5-7-15(13(14)20)8-12(19)16-6-3-2-4-10(16)9-17/h5,7,10,17H,2-4,6,8-9H2,1H3.
What are the key properties of 1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione?
1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione has a molecular weight of 281.31 g/mol, XLogP of -1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione is sourced from PubChem (CID 43430091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).