methyl 1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidine-2-carboxylate

C12H15N3O5 — CID 115280207

IUPACmethyl 1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H15N3O5/c1-20-11(18)8-4-2-3-5-15(8)10(17)7-6-13-12(19)14-9(7)16/h6,8H,2-5H2,1H3,(H2,13,14,16,19)
InChIKeyDIYDQBCDNFWIRC-UHFFFAOYSA-N
MW281.27 g/mol
LogP-0.77
Rot. Bonds2

About methyl 1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidine-2-carboxylate

methyl 1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidine-2-carboxylate (PubChem CID 115280207) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is methyl 1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidine-2-carboxylate
PubChem CID115280207
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Namemethyl 1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H15N3O5/c1-20-11(18)8-4-2-3-5-15(8)10(17)7-6-13-12(19)14-9(7)16/h6,8H,2-5H2,1H3,(H2,13,14,16,19)
InChIKeyDIYDQBCDNFWIRC-UHFFFAOYSA-N
XLogP-0.77
TPSA112.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
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

methyl 2-[1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidin-2-yl]acetate
CID 61010258
(2S)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 28773312
methyl 1-(2-chlorobenzoyl)piperidine-2-carboxylate
CID 115280036
methyl 1-(4-amino-1H-pyrrole-2-carbonyl)piperidine-2-carboxylate
CID 61107734
methyl (2R)-1-(2-oxo-1H-pyridine-4-carbonyl)piperidine-2-carboxylate
CID 113257736
methyl 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)piperidine-2-carboxylate
CID 115535693
methyl 1-[2-(methylamino)benzoyl]piperidine-2-carboxylate
CID 61377854
5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 102785247
methyl (2R)-1-(5-methyl-1,2-oxazole-4-carbonyl)piperidine-2-carboxylate
CID 113330671
methyl 1-(5-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
CID 51076036
methyl (2R)-1-(pyrazine-2-carbonyl)piperidine-2-carboxylate
CID 79833939
methyl 1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
CID 80975676

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidine-2-carboxylate?
The IUPAC name of methyl 1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidine-2-carboxylate (CID 115280207) is methyl 1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidine-2-carboxylate?
The canonical SMILES for methyl 1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidine-2-carboxylate is COC(=O)C1CCCCN1C(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of methyl 1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidine-2-carboxylate?
The InChIKey is DIYDQBCDNFWIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c1-20-11(18)8-4-2-3-5-15(8)10(17)7-6-13-12(19)14-9(7)16/h6,8H,2-5H2,1H3,(H2,13,14,16,19).
What are the key properties of methyl 1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidine-2-carboxylate?
methyl 1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidine-2-carboxylate has a molecular weight of 281.27 g/mol, XLogP of -0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidine-2-carboxylate is sourced from PubChem (CID 115280207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).