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

C12H15N3O5 — CID 79615225

IUPAC2-[1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)c2c[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C12H15N3O5/c16-9(17)5-7-1-3-15(4-2-7)11(19)8-6-13-12(20)14-10(8)18/h6-7H,1-5H2,(H,16,17)(H2,13,14,18,20)
InChIKeyPHILVHBOQFVAAL-UHFFFAOYSA-N
MW281.27 g/mol
LogP-0.61
Rot. Bonds3

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

2-[1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidin-4-yl]acetic acid (PubChem CID 79615225) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is 2-[1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidin-4-yl]acetic acid
PubChem CID79615225
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name2-[1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)c2c[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C12H15N3O5/c16-9(17)5-7-1-3-15(4-2-7)11(19)8-6-13-12(20)14-10(8)18/h6-7H,1-5H2,(H,16,17)(H2,13,14,18,20)
InChIKeyPHILVHBOQFVAAL-UHFFFAOYSA-N
XLogP-0.61
TPSA123.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 114799275
2-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]acetic acid
CID 79615807
2-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]acetic acid
CID 78980909
(2S)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 28773312
5-[(3aR,7aS)-5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl]-1H-pyrimidine-2,4-dione
CID 43596052
methyl 2-[1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidin-2-yl]acetate
CID 61010258
2-[1-(4-fluoro-2-hydroxybenzoyl)piperidin-4-yl]acetic acid
CID 107013711
ethyl (3S)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidine-3-carboxylate
CID 115535610
5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 102785247
2-[1-(2,5-dibromobenzoyl)piperidin-4-yl]acetic acid
CID 114368157
2-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetic acid
CID 78980399
2-[1-(2-chloro-4,5-difluorobenzoyl)piperidin-4-yl]acetic acid
CID 78979755

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidin-4-yl]acetic acid (CID 79615225) is 2-[1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidin-4-yl]acetic acid is O=C(O)CC1CCN(C(=O)c2c[nH]c(=O)[nH]c2=O)CC1.
What is the InChIKey of 2-[1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidin-4-yl]acetic acid?
The InChIKey is PHILVHBOQFVAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c16-9(17)5-7-1-3-15(4-2-7)11(19)8-6-13-12(20)14-10(8)18/h6-7H,1-5H2,(H,16,17)(H2,13,14,18,20).
What are the key properties of 2-[1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidin-4-yl]acetic acid?
2-[1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidin-4-yl]acetic acid has a molecular weight of 281.27 g/mol, XLogP of -0.61, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 79615225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).