1-ethyl-2,4-dioxo-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidine-5-carbonitrile

C14H18N4O3 — CID 18140229

IUPAC1-ethyl-2,4-dioxo-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidine-5-carbonitrile
SMILESCCn1cc(C#N)c(=O)n(CC(=O)N2CCCCC2)c1=O
InChIInChI=1S/C14H18N4O3/c1-2-16-9-11(8-15)13(20)18(14(16)21)10-12(19)17-6-4-3-5-7-17/h9H,2-7,10H2,1H3
InChIKeyIMIQVMPLBVIARZ-UHFFFAOYSA-N
MW290.32 g/mol
LogP-0.09
Rot. Bonds3

About 1-ethyl-2,4-dioxo-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidine-5-carbonitrile

1-ethyl-2,4-dioxo-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidine-5-carbonitrile (PubChem CID 18140229) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 1-ethyl-2,4-dioxo-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name1-ethyl-2,4-dioxo-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidine-5-carbonitrile
PubChem CID18140229
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name1-ethyl-2,4-dioxo-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidine-5-carbonitrile
SMILESCCn1cc(C#N)c(=O)n(CC(=O)N2CCCCC2)c1=O
InChIInChI=1S/C14H18N4O3/c1-2-16-9-11(8-15)13(20)18(14(16)21)10-12(19)17-6-4-3-5-7-17/h9H,2-7,10H2,1H3
InChIKeyIMIQVMPLBVIARZ-UHFFFAOYSA-N
XLogP-0.09
TPSA88.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-Dimethyl-2,4-dioxo-6-[(2-oxo-2-piperidin-1-ylethyl)amino]pyrimidine-5-carbonitrile
CID 56796800
N-butan-2-yl-N-butyl-2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)acetamide
CID 16231223
1,3-Dimethyl-4-(4-methylpiperidin-1-yl)-2,6-dioxopyrimidine-5-carbonitrile
CID 17450913
4-(3,5-Dimethylpiperidin-1-yl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 17408555
1,3-Dimethyl-4-(2-methylpiperidin-1-yl)-2,6-dioxopyrimidine-5-carbonitrile
CID 17432340
2-[4-(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperazin-1-yl]-N,N-diethylacetamide
CID 17563836
2-[4-(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylacetamide
CID 17564357
1,3-Dimethyl-2,4-dioxo-6-[4-(piperidine-1-carbonyl)piperazin-1-yl]pyrimidine-5-carbonitrile
CID 17566622
3-[2-(3,5-Dimethylpiperidin-1-yl)-2-oxoethyl]-1-ethyl-2,4-dioxopyrimidine-5-carbonitrile
CID 18131806
1-Ethyl-3-(2-morpholin-4-yl-2-oxoethyl)-2,4-dioxopyrimidine-5-carbonitrile
CID 18140224
1-Ethyl-3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxopyrimidine-5-carbonitrile
CID 18140225
1-Ethyl-2,4-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-5-carbonitrile
CID 18140227

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,4-dioxo-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidine-5-carbonitrile?
The IUPAC name of 1-ethyl-2,4-dioxo-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidine-5-carbonitrile (CID 18140229) is 1-ethyl-2,4-dioxo-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 1-ethyl-2,4-dioxo-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidine-5-carbonitrile?
The canonical SMILES for 1-ethyl-2,4-dioxo-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidine-5-carbonitrile is CCn1cc(C#N)c(=O)n(CC(=O)N2CCCCC2)c1=O.
What is the InChIKey of 1-ethyl-2,4-dioxo-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidine-5-carbonitrile?
The InChIKey is IMIQVMPLBVIARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-2-16-9-11(8-15)13(20)18(14(16)21)10-12(19)17-6-4-3-5-7-17/h9H,2-7,10H2,1H3.
What are the key properties of 1-ethyl-2,4-dioxo-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidine-5-carbonitrile?
1-ethyl-2,4-dioxo-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidine-5-carbonitrile has a molecular weight of 290.32 g/mol, XLogP of -0.09, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,4-dioxo-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 18140229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).