ethyl 2-[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidin-2-yl]acetate

C14H19N3O5 — CID 56887570

IUPACethyl 2-[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidin-2-yl]acetate
SMILESCCOC(=O)CC1CCCCN1C(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C14H19N3O5/c1-2-22-12(19)7-9-5-3-4-6-17(9)13(20)10-8-11(18)16-14(21)15-10/h8-9H,2-7H2,1H3,(H2,15,16,18,21)
InChIKeyUQAVJYDQVHCVHG-UHFFFAOYSA-N
MW309.32 g/mol
LogP0.01
Rot. Bonds4

About ethyl 2-[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidin-2-yl]acetate

ethyl 2-[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidin-2-yl]acetate (PubChem CID 56887570) has the molecular formula C14H19N3O5 and a molecular weight of 309.32 g/mol. Its IUPAC name is ethyl 2-[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidin-2-yl]acetate
PubChem CID56887570
Molecular FormulaC14H19N3O5
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC Nameethyl 2-[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidin-2-yl]acetate
SMILESCCOC(=O)CC1CCCCN1C(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C14H19N3O5/c1-2-22-12(19)7-9-5-3-4-6-17(9)13(20)10-8-11(18)16-14(21)15-10/h8-9H,2-7H2,1H3,(H2,15,16,18,21)
InChIKeyUQAVJYDQVHCVHG-UHFFFAOYSA-N
XLogP0.01
TPSA112.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidin-2-yl]acetate?
The IUPAC name of ethyl 2-[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidin-2-yl]acetate (CID 56887570) is ethyl 2-[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidin-2-yl]acetate?
The canonical SMILES for ethyl 2-[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidin-2-yl]acetate is CCOC(=O)CC1CCCCN1C(=O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of ethyl 2-[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidin-2-yl]acetate?
The InChIKey is UQAVJYDQVHCVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O5/c1-2-22-12(19)7-9-5-3-4-6-17(9)13(20)10-8-11(18)16-14(21)15-10/h8-9H,2-7H2,1H3,(H2,15,16,18,21).
What are the key properties of ethyl 2-[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidin-2-yl]acetate?
ethyl 2-[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidin-2-yl]acetate has a molecular weight of 309.32 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidin-2-yl]acetate is sourced from PubChem (CID 56887570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).