1-[3-(4-ethyl-2-methyl-3-oxopiperazin-1-yl)-3-oxopropyl]pyrimidine-2,4-dione

C14H20N4O4 — CID 56716242

IUPAC1-[3-(4-ethyl-2-methyl-3-oxopiperazin-1-yl)-3-oxopropyl]pyrimidine-2,4-dione
SMILESCCN1CCN(C(=O)CCn2ccc(=O)[nH]c2=O)C(C)C1=O
InChIInChI=1S/C14H20N4O4/c1-3-16-8-9-18(10(2)13(16)21)12(20)5-7-17-6-4-11(19)15-14(17)22/h4,6,10H,3,5,7-9H2,1-2H3,(H,15,19,22)
InChIKeyILWYTBDTINDFQP-UHFFFAOYSA-N
MW308.34 g/mol
LogP-0.99
Rot. Bonds4

About 1-[3-(4-ethyl-2-methyl-3-oxopiperazin-1-yl)-3-oxopropyl]pyrimidine-2,4-dione

1-[3-(4-ethyl-2-methyl-3-oxopiperazin-1-yl)-3-oxopropyl]pyrimidine-2,4-dione (PubChem CID 56716242) has the molecular formula C14H20N4O4 and a molecular weight of 308.34 g/mol. Its IUPAC name is 1-[3-(4-ethyl-2-methyl-3-oxopiperazin-1-yl)-3-oxopropyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[3-(4-ethyl-2-methyl-3-oxopiperazin-1-yl)-3-oxopropyl]pyrimidine-2,4-dione
PubChem CID56716242
Molecular FormulaC14H20N4O4
Molecular Weight308.34 g/mol
Exact Mass308.15
IUPAC Name1-[3-(4-ethyl-2-methyl-3-oxopiperazin-1-yl)-3-oxopropyl]pyrimidine-2,4-dione
SMILESCCN1CCN(C(=O)CCn2ccc(=O)[nH]c2=O)C(C)C1=O
InChIInChI=1S/C14H20N4O4/c1-3-16-8-9-18(10(2)13(16)21)12(20)5-7-17-6-4-11(19)15-14(17)22/h4,6,10H,3,5,7-9H2,1-2H3,(H,15,19,22)
InChIKeyILWYTBDTINDFQP-UHFFFAOYSA-N
XLogP-0.99
TPSA95.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 5-0.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-ethyl-2-methyl-3-oxopiperazin-1-yl)-3-oxopropyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[3-(4-ethyl-2-methyl-3-oxopiperazin-1-yl)-3-oxopropyl]pyrimidine-2,4-dione (CID 56716242) is 1-[3-(4-ethyl-2-methyl-3-oxopiperazin-1-yl)-3-oxopropyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[3-(4-ethyl-2-methyl-3-oxopiperazin-1-yl)-3-oxopropyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[3-(4-ethyl-2-methyl-3-oxopiperazin-1-yl)-3-oxopropyl]pyrimidine-2,4-dione is CCN1CCN(C(=O)CCn2ccc(=O)[nH]c2=O)C(C)C1=O.
What is the InChIKey of 1-[3-(4-ethyl-2-methyl-3-oxopiperazin-1-yl)-3-oxopropyl]pyrimidine-2,4-dione?
The InChIKey is ILWYTBDTINDFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O4/c1-3-16-8-9-18(10(2)13(16)21)12(20)5-7-17-6-4-11(19)15-14(17)22/h4,6,10H,3,5,7-9H2,1-2H3,(H,15,19,22).
What are the key properties of 1-[3-(4-ethyl-2-methyl-3-oxopiperazin-1-yl)-3-oxopropyl]pyrimidine-2,4-dione?
1-[3-(4-ethyl-2-methyl-3-oxopiperazin-1-yl)-3-oxopropyl]pyrimidine-2,4-dione has a molecular weight of 308.34 g/mol, XLogP of -0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-ethyl-2-methyl-3-oxopiperazin-1-yl)-3-oxopropyl]pyrimidine-2,4-dione is sourced from PubChem (CID 56716242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).