5-[4-(cyclobutanecarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid

C15H19N3O3 — CID 177196759

IUPAC5-[4-(cyclobutanecarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(N2CCN(C(=O)C3CCC3)CC2)c1
InChIInChI=1S/C15H19N3O3/c19-14(11-2-1-3-11)18-6-4-17(5-7-18)13-8-12(15(20)21)9-16-10-13/h8-11H,1-7H2,(H,20,21)
InChIKeyYKQUPBSMJVVPLW-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.23
Rot. Bonds3

About 5-[4-(cyclobutanecarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid

5-[4-(cyclobutanecarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid (PubChem CID 177196759) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 5-[4-(cyclobutanecarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[4-(cyclobutanecarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid
PubChem CID177196759
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name5-[4-(cyclobutanecarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(N2CCN(C(=O)C3CCC3)CC2)c1
InChIInChI=1S/C15H19N3O3/c19-14(11-2-1-3-11)18-6-4-17(5-7-18)13-8-12(15(20)21)9-16-10-13/h8-11H,1-7H2,(H,20,21)
InChIKeyYKQUPBSMJVVPLW-UHFFFAOYSA-N
XLogP1.23
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid;trihydrochloride
CID 90489074
cyclobutyl-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113079016
cyclopropyl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 110868344
5-[(3S)-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid
CID 126422492
5-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)pyridine-3-carboxylic acid
CID 113361204
[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-cyclobutylmethanone
CID 113005178
[5-(4-methylpiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226257
(4-methylpiperazin-1-yl)-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109230061
cyclobutyl-[4-[4-(4-methylpiperidin-1-yl)phenyl]piperazin-1-yl]methanone
CID 113079073
5-(2-azaspiro[3.4]octan-2-yl)pyridine-3-carboxylic acid
CID 79694566
(4-methylpiperazin-1-yl)-(5-piperidin-1-yl-3-pyridinyl)methanone
CID 109226454
[4-(3-chlorophenyl)piperazin-1-yl]-cyclohexylmethanone
CID 798144

Frequently Asked Questions

What is the IUPAC name of 5-[4-(cyclobutanecarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 5-[4-(cyclobutanecarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid (CID 177196759) is 5-[4-(cyclobutanecarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[4-(cyclobutanecarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[4-(cyclobutanecarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid is O=C(O)c1cncc(N2CCN(C(=O)C3CCC3)CC2)c1.
What is the InChIKey of 5-[4-(cyclobutanecarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is YKQUPBSMJVVPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c19-14(11-2-1-3-11)18-6-4-17(5-7-18)13-8-12(15(20)21)9-16-10-13/h8-11H,1-7H2,(H,20,21).
What are the key properties of 5-[4-(cyclobutanecarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid?
5-[4-(cyclobutanecarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 289.33 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(cyclobutanecarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 177196759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).