methyl 2-[1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidin-2-yl]acetate

C13H17N3O5 — CID 61010258

IUPACmethyl 2-[1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C13H17N3O5/c1-21-10(17)6-8-4-2-3-5-16(8)12(19)9-7-14-13(20)15-11(9)18/h7-8H,2-6H2,1H3,(H2,14,15,18,20)
InChIKeyBHSGWYVMAKRYQA-UHFFFAOYSA-N
MW295.29 g/mol
LogP-0.38
Rot. Bonds3

About methyl 2-[1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidin-2-yl]acetate

methyl 2-[1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidin-2-yl]acetate (PubChem CID 61010258) has the molecular formula C13H17N3O5 and a molecular weight of 295.29 g/mol. Its IUPAC name is methyl 2-[1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidin-2-yl]acetate
PubChem CID61010258
Molecular FormulaC13H17N3O5
Molecular Weight295.29 g/mol
Exact Mass295.12
IUPAC Namemethyl 2-[1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C13H17N3O5/c1-21-10(17)6-8-4-2-3-5-16(8)12(19)9-7-14-13(20)15-11(9)18/h7-8H,2-6H2,1H3,(H2,14,15,18,20)
InChIKeyBHSGWYVMAKRYQA-UHFFFAOYSA-N
XLogP-0.38
TPSA112.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidin-2-yl]acetate (CID 61010258) is methyl 2-[1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidin-2-yl]acetate is COC(=O)CC1CCCCN1C(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of methyl 2-[1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidin-2-yl]acetate?
The InChIKey is BHSGWYVMAKRYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c1-21-10(17)6-8-4-2-3-5-16(8)12(19)9-7-14-13(20)15-11(9)18/h7-8H,2-6H2,1H3,(H2,14,15,18,20).
What are the key properties of methyl 2-[1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidin-2-yl]acetate?
methyl 2-[1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidin-2-yl]acetate has a molecular weight of 295.29 g/mol, XLogP of -0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidin-2-yl]acetate is sourced from PubChem (CID 61010258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).