1-ethyl-3-methyl-6-[3-(morpholine-4-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione

C17H26N4O4 — CID 53010374

IUPAC1-ethyl-3-methyl-6-[3-(morpholine-4-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione
SMILESCCn1c(N2CCCC(C(=O)N3CCOCC3)C2)cc(=O)n(C)c1=O
InChIInChI=1S/C17H26N4O4/c1-3-21-14(11-15(22)18(2)17(21)24)20-6-4-5-13(12-20)16(23)19-7-9-25-10-8-19/h11,13H,3-10,12H2,1-2H3
InChIKeyLZLYKVHSKGCXBK-UHFFFAOYSA-N
MW350.42 g/mol
LogP-0.36
Rot. Bonds3

About 1-ethyl-3-methyl-6-[3-(morpholine-4-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione

1-ethyl-3-methyl-6-[3-(morpholine-4-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione (PubChem CID 53010374) has the molecular formula C17H26N4O4 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-ethyl-3-methyl-6-[3-(morpholine-4-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-ethyl-3-methyl-6-[3-(morpholine-4-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione
PubChem CID53010374
Molecular FormulaC17H26N4O4
Molecular Weight350.42 g/mol
Exact Mass350.20
IUPAC Name1-ethyl-3-methyl-6-[3-(morpholine-4-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione
SMILESCCn1c(N2CCCC(C(=O)N3CCOCC3)C2)cc(=O)n(C)c1=O
InChIInChI=1S/C17H26N4O4/c1-3-21-14(11-15(22)18(2)17(21)24)20-6-4-5-13(12-20)16(23)19-7-9-25-10-8-19/h11,13H,3-10,12H2,1-2H3
InChIKeyLZLYKVHSKGCXBK-UHFFFAOYSA-N
XLogP-0.36
TPSA76.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 5-0.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-6-[3-(morpholine-4-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-ethyl-3-methyl-6-[3-(morpholine-4-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione (CID 53010374) is 1-ethyl-3-methyl-6-[3-(morpholine-4-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-ethyl-3-methyl-6-[3-(morpholine-4-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-ethyl-3-methyl-6-[3-(morpholine-4-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione is CCn1c(N2CCCC(C(=O)N3CCOCC3)C2)cc(=O)n(C)c1=O.
What is the InChIKey of 1-ethyl-3-methyl-6-[3-(morpholine-4-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione?
The InChIKey is LZLYKVHSKGCXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4/c1-3-21-14(11-15(22)18(2)17(21)24)20-6-4-5-13(12-20)16(23)19-7-9-25-10-8-19/h11,13H,3-10,12H2,1-2H3.
What are the key properties of 1-ethyl-3-methyl-6-[3-(morpholine-4-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione?
1-ethyl-3-methyl-6-[3-(morpholine-4-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione has a molecular weight of 350.42 g/mol, XLogP of -0.36, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-6-[3-(morpholine-4-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 53010374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).