methyl 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-3-carboxylate

C13H17N3O5 — CID 115535737

IUPACmethyl 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(C(=O)Cc2cc(=O)[nH]c(=O)[nH]2)C1
InChIInChI=1S/C13H17N3O5/c1-21-12(19)8-3-2-4-16(7-8)11(18)6-9-5-10(17)15-13(20)14-9/h5,8H,2-4,6-7H2,1H3,(H2,14,15,17,20)
InChIKeyGEYRXTGHCLGUGX-UHFFFAOYSA-N
MW295.30 g/mol
LogP-0.98
Rot. Bonds3

About methyl 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-3-carboxylate

methyl 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-3-carboxylate (PubChem CID 115535737) has the molecular formula C13H17N3O5 and a molecular weight of 295.30 g/mol. Its IUPAC name is methyl 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-3-carboxylate
PubChem CID115535737
Molecular FormulaC13H17N3O5
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Namemethyl 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(C(=O)Cc2cc(=O)[nH]c(=O)[nH]2)C1
InChIInChI=1S/C13H17N3O5/c1-21-12(19)8-3-2-4-16(7-8)11(18)6-9-5-10(17)15-13(20)14-9/h5,8H,2-4,6-7H2,1H3,(H2,14,15,17,20)
InChIKeyGEYRXTGHCLGUGX-UHFFFAOYSA-N
XLogP-0.98
TPSA112.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-3-carboxylic acid
CID 43355935
methyl (3S)-1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxylate
CID 78919538
methyl 1-[2-(4-fluorophenoxy)acetyl]piperidine-3-carboxylate
CID 78918965
1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxamide
CID 2150009
methyl 1-[2-(2,6-dichlorophenyl)acetyl]piperidine-3-carboxylate
CID 78919018
methyl 1-[2-(2-methylphenyl)acetyl]piperidine-3-carboxylate
CID 78919146
methyl 1-[2-(3-fluorophenyl)acetyl]piperidine-3-carboxylate
CID 78919144
4-(3-methoxycarbonylpiperidin-1-yl)-4-oxobutanoic acid
CID 110465779
3-(3-methoxycarbonylpiperidin-1-yl)-3-oxopropanoic acid
CID 115538673
methyl 1-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]pyrrolidine-3-carboxylate
CID 112733683
methyl 1-[2-(4-bromophenoxy)acetyl]piperidine-3-carboxylate
CID 78918831
methyl (3S)-1-(2-cyclopentylacetyl)piperidine-3-carboxylate
CID 78919382

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-3-carboxylate?
The IUPAC name of methyl 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-3-carboxylate (CID 115535737) is methyl 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-3-carboxylate?
The canonical SMILES for methyl 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-3-carboxylate is COC(=O)C1CCCN(C(=O)Cc2cc(=O)[nH]c(=O)[nH]2)C1.
What is the InChIKey of methyl 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-3-carboxylate?
The InChIKey is GEYRXTGHCLGUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c1-21-12(19)8-3-2-4-16(7-8)11(18)6-9-5-10(17)15-13(20)14-9/h5,8H,2-4,6-7H2,1H3,(H2,14,15,17,20).
What are the key properties of methyl 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-3-carboxylate?
methyl 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-3-carboxylate has a molecular weight of 295.30 g/mol, XLogP of -0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-3-carboxylate is sourced from PubChem (CID 115535737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).