5-[2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione

C16H22N4O5 — CID 77094576

IUPAC5-[2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESO=C(Cc1c[nH]c(=O)[nH]c1=O)N1CCCC(C(=O)N2CCOCC2)C1
InChIInChI=1S/C16H22N4O5/c21-13(8-12-9-17-16(24)18-14(12)22)20-3-1-2-11(10-20)15(23)19-4-6-25-7-5-19/h9,11H,1-8,10H2,(H2,17,18,22,24)
InChIKeyCGEBMVSYRAJNCY-UHFFFAOYSA-N
MW350.38 g/mol
LogP-1.30
Rot. Bonds3

About 5-[2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione

5-[2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (PubChem CID 77094576) has the molecular formula C16H22N4O5 and a molecular weight of 350.38 g/mol. Its IUPAC name is 5-[2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
PubChem CID77094576
Molecular FormulaC16H22N4O5
Molecular Weight350.38 g/mol
Exact Mass350.16
IUPAC Name5-[2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESO=C(Cc1c[nH]c(=O)[nH]c1=O)N1CCCC(C(=O)N2CCOCC2)C1
InChIInChI=1S/C16H22N4O5/c21-13(8-12-9-17-16(24)18-14(12)22)20-3-1-2-11(10-20)15(23)19-4-6-25-7-5-19/h9,11H,1-8,10H2,(H2,17,18,22,24)
InChIKeyCGEBMVSYRAJNCY-UHFFFAOYSA-N
XLogP-1.30
TPSA115.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 5-1.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (CID 77094576) is 5-[2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is O=C(Cc1c[nH]c(=O)[nH]c1=O)N1CCCC(C(=O)N2CCOCC2)C1.
What is the InChIKey of 5-[2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is CGEBMVSYRAJNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O5/c21-13(8-12-9-17-16(24)18-14(12)22)20-3-1-2-11(10-20)15(23)19-4-6-25-7-5-19/h9,11H,1-8,10H2,(H2,17,18,22,24).
What are the key properties of 5-[2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
5-[2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 350.38 g/mol, XLogP of -1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 77094576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).