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

C12H15N3O5 — CID 43354127

IUPAC1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Cn2[nH]c(=O)ccc2=O)CC1
InChIInChI=1S/C12H15N3O5/c16-9-1-2-10(17)15(13-9)7-11(18)14-5-3-8(4-6-14)12(19)20/h1-2,8H,3-7H2,(H,13,16)(H,19,20)
InChIKeyCFRSFKCYJODAFB-UHFFFAOYSA-N
MW281.27 g/mol
LogP-1.14
Rot. Bonds3

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

1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidine-4-carboxylic acid (PubChem CID 43354127) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidine-4-carboxylic acid
PubChem CID43354127
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Cn2[nH]c(=O)ccc2=O)CC1
InChIInChI=1S/C12H15N3O5/c16-9-1-2-10(17)15(13-9)7-11(18)14-5-3-8(4-6-14)12(19)20/h1-2,8H,3-7H2,(H,13,16)(H,19,20)
InChIKeyCFRSFKCYJODAFB-UHFFFAOYSA-N
XLogP-1.14
TPSA112.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(Prop-2-enoylamino)piperidine-4-carboxylic acid
CID 175313689
1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidine-3-carboxylic acid
CID 43355778
4-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]butanoic acid
CID 43359933
methyl 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidine-4-carboxylate
CID 43404797
2-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 54878794
2-[1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidin-3-yl]acetic acid
CID 62689731
1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 63030583
1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-4-methylpiperidine-4-carboxylic acid
CID 63123642
1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidine-4-carbohydrazide
CID 63573551
2-[1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]azetidin-3-yl]acetic acid
CID 64604808
2-[1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidin-3-yl]acetic acid
CID 65944242
1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79363468

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidine-4-carboxylic acid (CID 43354127) is 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)Cn2[nH]c(=O)ccc2=O)CC1.
What is the InChIKey of 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidine-4-carboxylic acid?
The InChIKey is CFRSFKCYJODAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c16-9-1-2-10(17)15(13-9)7-11(18)14-5-3-8(4-6-14)12(19)20/h1-2,8H,3-7H2,(H,13,16)(H,19,20).
What are the key properties of 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidine-4-carboxylic acid?
1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidine-4-carboxylic acid has a molecular weight of 281.27 g/mol, XLogP of -1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 43354127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).