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

C12H14N4O3 — CID 112685381

IUPAC2,4-dioxo-1-(2-oxo-2-piperidin-1-ylethyl)pyrimidine-5-carbonitrile
SMILESN#Cc1cn(CC(=O)N2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C12H14N4O3/c13-6-9-7-16(12(19)14-11(9)18)8-10(17)15-4-2-1-3-5-15/h7H,1-5,8H2,(H,14,18,19)
InChIKeyXRCTUWKGRBYHCA-UHFFFAOYSA-N
MW262.27 g/mol
LogP-0.58
Rot. Bonds2

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

2,4-dioxo-1-(2-oxo-2-piperidin-1-ylethyl)pyrimidine-5-carbonitrile (PubChem CID 112685381) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 2,4-dioxo-1-(2-oxo-2-piperidin-1-ylethyl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2,4-dioxo-1-(2-oxo-2-piperidin-1-ylethyl)pyrimidine-5-carbonitrile
PubChem CID112685381
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name2,4-dioxo-1-(2-oxo-2-piperidin-1-ylethyl)pyrimidine-5-carbonitrile
SMILESN#Cc1cn(CC(=O)N2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C12H14N4O3/c13-6-9-7-16(12(19)14-11(9)18)8-10(17)15-4-2-1-3-5-15/h7H,1-5,8H2,(H,14,18,19)
InChIKeyXRCTUWKGRBYHCA-UHFFFAOYSA-N
XLogP-0.58
TPSA98.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-Dioxo-1-piperidino-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile
CID 2763482
1,3-Dimethyl-2,4-dioxo-6-[(2-oxo-2-piperidin-1-ylethyl)amino]pyrimidine-5-carbonitrile
CID 56796800
1-(2-(5-cyano-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
CID 1815358
3-[2-(3,5-Dimethylpiperidin-1-yl)-2-oxoethyl]-1-ethyl-2,4-dioxopyrimidine-5-carbonitrile
CID 18131806
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-piperidin-1-ylethyl)pyrimidine-5-carbonitrile
CID 18140229
2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N,N-dimethylacetamide
CID 18140232
2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-pentan-2-ylacetamide
CID 18140236
N-butyl-2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)acetamide
CID 18228312
1,3-Dimethyl-2,4-dioxo-6-(3-oxopiperazin-1-yl)pyrimidine-5-carbonitrile
CID 25581139
2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-pentylacetamide
CID 29621353
N-(2-cyanoethyl)-2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-methylacetamide
CID 30835629

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-1-(2-oxo-2-piperidin-1-ylethyl)pyrimidine-5-carbonitrile?
The IUPAC name of 2,4-dioxo-1-(2-oxo-2-piperidin-1-ylethyl)pyrimidine-5-carbonitrile (CID 112685381) is 2,4-dioxo-1-(2-oxo-2-piperidin-1-ylethyl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 2,4-dioxo-1-(2-oxo-2-piperidin-1-ylethyl)pyrimidine-5-carbonitrile?
The canonical SMILES for 2,4-dioxo-1-(2-oxo-2-piperidin-1-ylethyl)pyrimidine-5-carbonitrile is N#Cc1cn(CC(=O)N2CCCCC2)c(=O)[nH]c1=O.
What is the InChIKey of 2,4-dioxo-1-(2-oxo-2-piperidin-1-ylethyl)pyrimidine-5-carbonitrile?
The InChIKey is XRCTUWKGRBYHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c13-6-9-7-16(12(19)14-11(9)18)8-10(17)15-4-2-1-3-5-15/h7H,1-5,8H2,(H,14,18,19).
What are the key properties of 2,4-dioxo-1-(2-oxo-2-piperidin-1-ylethyl)pyrimidine-5-carbonitrile?
2,4-dioxo-1-(2-oxo-2-piperidin-1-ylethyl)pyrimidine-5-carbonitrile has a molecular weight of 262.27 g/mol, XLogP of -0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-1-(2-oxo-2-piperidin-1-ylethyl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 112685381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).