1-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione

C13H19N3O4 — CID 62356602

IUPAC1-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
SMILESO=C(Cn1ccc(=O)[nH]c1=O)N1CCCC(CCO)C1
InChIInChI=1S/C13H19N3O4/c17-7-4-10-2-1-5-15(8-10)12(19)9-16-6-3-11(18)14-13(16)20/h3,6,10,17H,1-2,4-5,7-9H2,(H,14,18,20)
InChIKeyMTGWFHNQJNBLCV-UHFFFAOYSA-N
MW281.31 g/mol
LogP-0.84
Rot. Bonds4

About 1-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione

1-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione (PubChem CID 62356602) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
PubChem CID62356602
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name1-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
SMILESO=C(Cn1ccc(=O)[nH]c1=O)N1CCCC(CCO)C1
InChIInChI=1S/C13H19N3O4/c17-7-4-10-2-1-5-15(8-10)12(19)9-16-6-3-11(18)14-13(16)20/h3,6,10,17H,1-2,4-5,7-9H2,(H,14,18,20)
InChIKeyMTGWFHNQJNBLCV-UHFFFAOYSA-N
XLogP-0.84
TPSA95.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione (CID 62356602) is 1-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione is O=C(Cn1ccc(=O)[nH]c1=O)N1CCCC(CCO)C1.
What is the InChIKey of 1-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione?
The InChIKey is MTGWFHNQJNBLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c17-7-4-10-2-1-5-15(8-10)12(19)9-16-6-3-11(18)14-13(16)20/h3,6,10,17H,1-2,4-5,7-9H2,(H,14,18,20).
What are the key properties of 1-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione?
1-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione has a molecular weight of 281.31 g/mol, XLogP of -0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 62356602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).