ethyl 4-[3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidin-6-yl]piperazine-1-carboxylate

C18H22N4O5 — CID 3243733

IUPACethyl 4-[3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidin-6-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2cc(=O)n(-c3ccc(OC)cc3)c(=O)[nH]2)CC1
InChIInChI=1S/C18H22N4O5/c1-3-27-18(25)21-10-8-20(9-11-21)15-12-16(23)22(17(24)19-15)13-4-6-14(26-2)7-5-13/h4-7,12H,3,8-11H2,1-2H3,(H,19,24)
InChIKeyOFUKJESAMWCDRV-UHFFFAOYSA-N
MW374.40 g/mol
LogP0.81
Rot. Bonds4

About ethyl 4-[3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidin-6-yl]piperazine-1-carboxylate

ethyl 4-[3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidin-6-yl]piperazine-1-carboxylate (PubChem CID 3243733) has the molecular formula C18H22N4O5 and a molecular weight of 374.40 g/mol. Its IUPAC name is ethyl 4-[3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidin-6-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidin-6-yl]piperazine-1-carboxylate
PubChem CID3243733
Molecular FormulaC18H22N4O5
Molecular Weight374.40 g/mol
Exact Mass374.16
IUPAC Nameethyl 4-[3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidin-6-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2cc(=O)n(-c3ccc(OC)cc3)c(=O)[nH]2)CC1
InChIInChI=1S/C18H22N4O5/c1-3-27-18(25)21-10-8-20(9-11-21)15-12-16(23)22(17(24)19-15)13-4-6-14(26-2)7-5-13/h4-7,12H,3,8-11H2,1-2H3,(H,19,24)
InChIKeyOFUKJESAMWCDRV-UHFFFAOYSA-N
XLogP0.81
TPSA96.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidin-6-yl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidin-6-yl]piperazine-1-carboxylate (CID 3243733) is ethyl 4-[3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidin-6-yl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidin-6-yl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidin-6-yl]piperazine-1-carboxylate is CCOC(=O)N1CCN(c2cc(=O)n(-c3ccc(OC)cc3)c(=O)[nH]2)CC1.
What is the InChIKey of ethyl 4-[3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidin-6-yl]piperazine-1-carboxylate?
The InChIKey is OFUKJESAMWCDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O5/c1-3-27-18(25)21-10-8-20(9-11-21)15-12-16(23)22(17(24)19-15)13-4-6-14(26-2)7-5-13/h4-7,12H,3,8-11H2,1-2H3,(H,19,24).
What are the key properties of ethyl 4-[3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidin-6-yl]piperazine-1-carboxylate?
ethyl 4-[3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidin-6-yl]piperazine-1-carboxylate has a molecular weight of 374.40 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidin-6-yl]piperazine-1-carboxylate is sourced from PubChem (CID 3243733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).