1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-3-carboxylic acid

C12H15N3O5 — CID 43355935

IUPAC1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)Cc2cc(=O)[nH]c(=O)[nH]2)C1
InChIInChI=1S/C12H15N3O5/c16-9-4-8(13-12(20)14-9)5-10(17)15-3-1-2-7(6-15)11(18)19/h4,7H,1-3,5-6H2,(H,18,19)(H2,13,14,16,20)
InChIKeyHAEQREVRXYXAKD-UHFFFAOYSA-N
MW281.27 g/mol
LogP-1.07
Rot. Bonds3

About 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-3-carboxylic acid

1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-3-carboxylic acid (PubChem CID 43355935) 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-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-3-carboxylic acid
PubChem CID43355935
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)Cc2cc(=O)[nH]c(=O)[nH]2)C1
InChIInChI=1S/C12H15N3O5/c16-9-4-8(13-12(20)14-9)5-10(17)15-3-1-2-7(6-15)11(18)19/h4,7H,1-3,5-6H2,(H,18,19)(H2,13,14,16,20)
InChIKeyHAEQREVRXYXAKD-UHFFFAOYSA-N
XLogP-1.07
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 ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-3-carboxylate
CID 115535737
1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxamide
CID 2150009
1-[4-(3-carboxypiperidin-1-yl)-4-oxobutanoyl]piperidine-3-carboxylic acid
CID 57094658
1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-4-methylpiperidine-4-carboxylic acid
CID 63123543
(3S)-1-[2-(2,5-difluorophenyl)acetyl]piperidine-3-carboxylic acid
CID 98024202
(3S)-1-[2-(2,4-difluorophenyl)acetyl]piperidine-3-carboxylic acid
CID 81120918
(3R)-1-[2-(3,4-dichlorophenoxy)acetyl]piperidine-3-carboxylic acid
CID 81126899
(3S)-1-[2-(cyclohexen-1-yl)acetyl]piperidine-3-carboxylic acid
CID 81126342
1-[2-(4-phenylphenyl)acetyl]piperidine-3-carboxylic acid
CID 45429214
6-[2-(4-bromo-3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 167759114
(3S)-1-[2-(3-bromo-4-fluorophenyl)acetyl]piperidine-3-carboxylic acid
CID 97323823
(3S)-1-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]piperidine-3-carboxylic acid
CID 119173948

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-3-carboxylic acid (CID 43355935) is 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)Cc2cc(=O)[nH]c(=O)[nH]2)C1.
What is the InChIKey of 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-3-carboxylic acid?
The InChIKey is HAEQREVRXYXAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c16-9-4-8(13-12(20)14-9)5-10(17)15-3-1-2-7(6-15)11(18)19/h4,7H,1-3,5-6H2,(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-3-carboxylic acid?
1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-3-carboxylic acid has a molecular weight of 281.27 g/mol, XLogP of -1.07, 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-3-carboxylic acid is sourced from PubChem (CID 43355935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).