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

C12H15N3O5 — CID 2104794

IUPAC(2-oxo-2-piperidin-1-ylethyl) 2,4-dioxo-1H-pyrimidine-5-carboxylate
SMILESO=C(OCC(=O)N1CCCCC1)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H15N3O5/c16-9(15-4-2-1-3-5-15)7-20-11(18)8-6-13-12(19)14-10(8)17/h6H,1-5,7H2,(H2,13,14,17,19)
InChIKeyYWENJUXZRACGMP-UHFFFAOYSA-N
MW281.27 g/mol
LogP-0.77
Rot. Bonds3

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

(2-oxo-2-piperidin-1-ylethyl) 2,4-dioxo-1H-pyrimidine-5-carboxylate (PubChem CID 2104794) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is (2-oxo-2-piperidin-1-ylethyl) 2,4-dioxo-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Name(2-oxo-2-piperidin-1-ylethyl) 2,4-dioxo-1H-pyrimidine-5-carboxylate
PubChem CID2104794
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name(2-oxo-2-piperidin-1-ylethyl) 2,4-dioxo-1H-pyrimidine-5-carboxylate
SMILESO=C(OCC(=O)N1CCCCC1)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H15N3O5/c16-9(15-4-2-1-3-5-15)7-20-11(18)8-6-13-12(19)14-10(8)17/h6H,1-5,7H2,(H2,13,14,17,19)
InChIKeyYWENJUXZRACGMP-UHFFFAOYSA-N
XLogP-0.77
TPSA112.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

hydroxymethyl 2,4-dioxo-1H-pyrimidine-5-carboxylate
CID 141245679
(2-oxo-2-piperidin-1-ylethyl) 5-bromo-1H-indole-3-carboxylate
CID 55443248
(2-oxo-2-piperidin-1-ylethyl) 2-oxo-1H-quinoline-4-carboxylate
CID 2646060
ethyl (3S)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidine-3-carboxylate
CID 115535610
(2-oxo-2-piperidin-1-ylethyl) 2,4-dihydroxybenzoate
CID 2537018
[2-(azepan-1-yl)-2-oxoethyl] benzoate
CID 2357110
benzyl 2,4-dioxo-1H-pyrimidine-5-carboxylate
CID 12848800
(2-oxo-2-piperidin-1-ylethyl) 5-cyclopropyl-1H-pyrazole-3-carboxylate
CID 55569703
(2-oxo-2-piperidin-1-ylethyl) 4-amino-2,5-difluorobenzoate
CID 104700413
[2-(azepan-1-yl)-2-oxoethyl] 2,4-dichlorobenzoate
CID 23791825
(2-oxo-2-pyrrolidin-1-ylethyl) 4-fluorobenzoate
CID 2371316
[2-(azepan-1-yl)-2-oxoethyl] 2,6-dichlorobenzoate
CID 4132408

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 2,4-dioxo-1H-pyrimidine-5-carboxylate?
The IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 2,4-dioxo-1H-pyrimidine-5-carboxylate (CID 2104794) is (2-oxo-2-piperidin-1-ylethyl) 2,4-dioxo-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for (2-oxo-2-piperidin-1-ylethyl) 2,4-dioxo-1H-pyrimidine-5-carboxylate?
The canonical SMILES for (2-oxo-2-piperidin-1-ylethyl) 2,4-dioxo-1H-pyrimidine-5-carboxylate is O=C(OCC(=O)N1CCCCC1)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of (2-oxo-2-piperidin-1-ylethyl) 2,4-dioxo-1H-pyrimidine-5-carboxylate?
The InChIKey is YWENJUXZRACGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c16-9(15-4-2-1-3-5-15)7-20-11(18)8-6-13-12(19)14-10(8)17/h6H,1-5,7H2,(H2,13,14,17,19).
What are the key properties of (2-oxo-2-piperidin-1-ylethyl) 2,4-dioxo-1H-pyrimidine-5-carboxylate?
(2-oxo-2-piperidin-1-ylethyl) 2,4-dioxo-1H-pyrimidine-5-carboxylate has a molecular weight of 281.27 g/mol, XLogP of -0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-piperidin-1-ylethyl) 2,4-dioxo-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 2104794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).