ethyl 1-(2,4-dioxo-1H-pyrimidin-5-yl)piperidine-4-carboxylate

C12H17N3O4 — CID 177244094

IUPACethyl 1-(2,4-dioxo-1H-pyrimidin-5-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2c[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C12H17N3O4/c1-2-19-11(17)8-3-5-15(6-4-8)9-7-13-12(18)14-10(9)16/h7-8H,2-6H2,1H3,(H2,13,14,16,18)
InChIKeyGPWDRDUHWRNARC-UHFFFAOYSA-N
MW267.28 g/mol
LogP-0.16
Rot. Bonds3

About ethyl 1-(2,4-dioxo-1H-pyrimidin-5-yl)piperidine-4-carboxylate

ethyl 1-(2,4-dioxo-1H-pyrimidin-5-yl)piperidine-4-carboxylate (PubChem CID 177244094) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is ethyl 1-(2,4-dioxo-1H-pyrimidin-5-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2,4-dioxo-1H-pyrimidin-5-yl)piperidine-4-carboxylate
PubChem CID177244094
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Nameethyl 1-(2,4-dioxo-1H-pyrimidin-5-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2c[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C12H17N3O4/c1-2-19-11(17)8-3-5-15(6-4-8)9-7-13-12(18)14-10(9)16/h7-8H,2-6H2,1H3,(H2,13,14,16,18)
InChIKeyGPWDRDUHWRNARC-UHFFFAOYSA-N
XLogP-0.16
TPSA95.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2,4-dioxo-1H-pyrimidin-5-yl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(2,4-dioxo-1H-pyrimidin-5-yl)piperidine-4-carboxylate (CID 177244094) is ethyl 1-(2,4-dioxo-1H-pyrimidin-5-yl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(2,4-dioxo-1H-pyrimidin-5-yl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(2,4-dioxo-1H-pyrimidin-5-yl)piperidine-4-carboxylate is CCOC(=O)C1CCN(c2c[nH]c(=O)[nH]c2=O)CC1.
What is the InChIKey of ethyl 1-(2,4-dioxo-1H-pyrimidin-5-yl)piperidine-4-carboxylate?
The InChIKey is GPWDRDUHWRNARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-2-19-11(17)8-3-5-15(6-4-8)9-7-13-12(18)14-10(9)16/h7-8H,2-6H2,1H3,(H2,13,14,16,18).
What are the key properties of ethyl 1-(2,4-dioxo-1H-pyrimidin-5-yl)piperidine-4-carboxylate?
ethyl 1-(2,4-dioxo-1H-pyrimidin-5-yl)piperidine-4-carboxylate has a molecular weight of 267.28 g/mol, XLogP of -0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2,4-dioxo-1H-pyrimidin-5-yl)piperidine-4-carboxylate is sourced from PubChem (CID 177244094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).