methyl 1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-4-carboxylate

C13H17N3O5 — CID 43408685

IUPACmethyl 1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)CC1
InChIInChI=1S/C13H17N3O5/c1-21-12(19)9-2-5-15(6-3-9)11(18)8-16-7-4-10(17)14-13(16)20/h4,7,9H,2-3,5-6,8H2,1H3,(H,14,17,20)
InChIKeyPCILPEAOBZSEIN-UHFFFAOYSA-N
MW295.30 g/mol
LogP-1.05
Rot. Bonds3

About methyl 1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-4-carboxylate

methyl 1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-4-carboxylate (PubChem CID 43408685) has the molecular formula C13H17N3O5 and a molecular weight of 295.30 g/mol. Its IUPAC name is methyl 1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-4-carboxylate
PubChem CID43408685
Molecular FormulaC13H17N3O5
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Namemethyl 1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)CC1
InChIInChI=1S/C13H17N3O5/c1-21-12(19)9-2-5-15(6-3-9)11(18)8-16-7-4-10(17)14-13(16)20/h4,7,9H,2-3,5-6,8H2,1H3,(H,14,17,20)
InChIKeyPCILPEAOBZSEIN-UHFFFAOYSA-N
XLogP-1.05
TPSA101.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 5-1.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-4-carboxylate (CID 43408685) is methyl 1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)CC1.
What is the InChIKey of methyl 1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-4-carboxylate?
The InChIKey is PCILPEAOBZSEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c1-21-12(19)9-2-5-15(6-3-9)11(18)8-16-7-4-10(17)14-13(16)20/h4,7,9H,2-3,5-6,8H2,1H3,(H,14,17,20).
What are the key properties of methyl 1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-4-carboxylate?
methyl 1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-4-carboxylate has a molecular weight of 295.30 g/mol, XLogP of -1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 43408685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).