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

C13H17N3O5 — CID 43422518

IUPACmethyl 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)Cc2cc(=O)[nH]c(=O)[nH]2)CC1
InChIInChI=1S/C13H17N3O5/c1-21-12(19)8-2-4-16(5-3-8)11(18)7-9-6-10(17)15-13(20)14-9/h6,8H,2-5,7H2,1H3,(H2,14,15,17,20)
InChIKeyPARNDXQVQIKFJP-UHFFFAOYSA-N
MW295.30 g/mol
LogP-0.98
Rot. Bonds3

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

methyl 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxylate (PubChem CID 43422518) 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-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxylate
PubChem CID43422518
Molecular FormulaC13H17N3O5
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Namemethyl 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)Cc2cc(=O)[nH]c(=O)[nH]2)CC1
InChIInChI=1S/C13H17N3O5/c1-21-12(19)8-2-4-16(5-3-8)11(18)7-9-6-10(17)15-13(20)14-9/h6,8H,2-5,7H2,1H3,(H2,14,15,17,20)
InChIKeyPARNDXQVQIKFJP-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-4-carboxamide
CID 2150009
1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxylic acid
CID 43170488
methyl 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidine-4-carboxylate
CID 43404819
methyl 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate
CID 43422520
6-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 54878844
ethyl 1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]piperidine-4-carboxylate
CID 60359882
Methyl 1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]piperidine-4-carboxylate
CID 60705865
methyl 4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]butanoate
CID 60714512
2-[1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidin-3-yl]acetic acid
CID 62690762
1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-4-methylpiperidine-4-carboxylic acid
CID 63123543
ethyl 4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]butanoate
CID 64580116
2-[1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidin-4-yl]acetic acid
CID 79612968

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxylate (CID 43422518) is methyl 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)Cc2cc(=O)[nH]c(=O)[nH]2)CC1.
What is the InChIKey of methyl 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxylate?
The InChIKey is PARNDXQVQIKFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c1-21-12(19)8-2-4-16(5-3-8)11(18)7-9-6-10(17)15-13(20)14-9/h6,8H,2-5,7H2,1H3,(H2,14,15,17,20).
What are the key properties of methyl 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxylate?
methyl 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-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-4-carboxylate is sourced from PubChem (CID 43422518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).