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

C12H15N3O5 — CID 43356116

IUPAC1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C12H15N3O5/c16-9-5-7(13-12(20)14-9)6-10(17)15-4-2-1-3-8(15)11(18)19/h5,8H,1-4,6H2,(H,18,19)(H2,13,14,16,20)
InChIKeyRWQOSXJQSNWGAC-UHFFFAOYSA-N
MW281.27 g/mol
LogP-0.93
Rot. Bonds3

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

1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-2-carboxylic acid (PubChem CID 43356116) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-2-carboxylic acid
PubChem CID43356116
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C12H15N3O5/c16-9-5-7(13-12(20)14-9)6-10(17)15-4-2-1-3-8(15)11(18)19/h5,8H,1-4,6H2,(H,18,19)(H2,13,14,16,20)
InChIKeyRWQOSXJQSNWGAC-UHFFFAOYSA-N
XLogP-0.93
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 ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidine-2-carboxylic acid
CID 24697609
(2S)-1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidine-2-carboxylic acid
CID 28188509
(2R)-1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidine-2-carboxylic acid
CID 28188512
1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-2-carboxylic acid
CID 43171066
6-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]hexanoic acid
CID 43352997
1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 43355714
5-amino-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-5-oxopentanoic acid
CID 43358726
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]hexanoic acid
CID 43469863
6-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 43572858
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]pentanoic acid
CID 43630807
(2R)-1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 55150224
2-[1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidin-2-yl]acetic acid
CID 61010086

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-2-carboxylic acid (CID 43356116) is 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C(=O)Cc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-2-carboxylic acid?
The InChIKey is RWQOSXJQSNWGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c16-9-5-7(13-12(20)14-9)6-10(17)15-4-2-1-3-8(15)11(18)19/h5,8H,1-4,6H2,(H,18,19)(H2,13,14,16,20).
What are the key properties of 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-2-carboxylic acid?
1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-2-carboxylic acid has a molecular weight of 281.27 g/mol, XLogP of -0.93, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 43356116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).