1-[1-(2-piperidin-3-ylacetyl)azetidin-3-yl]triazole-4-carboxylic acid

C13H19N5O3 — CID 79312328

IUPAC1-[1-(2-piperidin-3-ylacetyl)azetidin-3-yl]triazole-4-carboxylic acid
SMILESO=C(O)c1cn(C2CN(C(=O)CC3CCCNC3)C2)nn1
InChIInChI=1S/C13H19N5O3/c19-12(4-9-2-1-3-14-5-9)17-6-10(7-17)18-8-11(13(20)21)15-16-18/h8-10,14H,1-7H2,(H,20,21)
InChIKeyDYIUMLYDFNDHET-UHFFFAOYSA-N
MW293.33 g/mol
LogP-0.25
Rot. Bonds4

About 1-[1-(2-piperidin-3-ylacetyl)azetidin-3-yl]triazole-4-carboxylic acid

1-[1-(2-piperidin-3-ylacetyl)azetidin-3-yl]triazole-4-carboxylic acid (PubChem CID 79312328) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is 1-[1-(2-piperidin-3-ylacetyl)azetidin-3-yl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2-piperidin-3-ylacetyl)azetidin-3-yl]triazole-4-carboxylic acid
PubChem CID79312328
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC Name1-[1-(2-piperidin-3-ylacetyl)azetidin-3-yl]triazole-4-carboxylic acid
SMILESO=C(O)c1cn(C2CN(C(=O)CC3CCCNC3)C2)nn1
InChIInChI=1S/C13H19N5O3/c19-12(4-9-2-1-3-14-5-9)17-6-10(7-17)18-8-11(13(20)21)15-16-18/h8-10,14H,1-7H2,(H,20,21)
InChIKeyDYIUMLYDFNDHET-UHFFFAOYSA-N
XLogP-0.25
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(3-cyclopentylpropanoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 75356198
1-[1-(cyclopentylmethylcarbamoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311935
1-[1-[(2R)-pyrrolidine-2-carbonyl]azetidin-3-yl]triazole-4-carboxylic acid
CID 104901262
1-[1-[2-(1-aminocyclopentyl)acetyl]azetidin-3-yl]triazole-4-carboxylic acid
CID 79311906
1-[1-[2-[1-(aminomethyl)cyclobutyl]acetyl]azetidin-3-yl]triazole-4-carboxylic acid
CID 81176615
1-[1-(2-thiomorpholin-3-ylacetyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79308861
methyl 1-[1-(piperidin-3-ylmethyl)pyrrolidin-3-yl]triazole-4-carboxylate
CID 120856444
1-[1-[3-(ethylamino)propanoyl]azetidin-3-yl]triazole-4-carboxylic acid
CID 79311071
1-[1-[2-(prop-2-ynylamino)acetyl]azetidin-3-yl]triazole-4-carboxylic acid
CID 79312145
1-[1-(4-aminopiperidine-1-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311493
1-(1-heptanoylazetidin-3-yl)triazole-4-carboxylic acid
CID 79309145
1-(1-piperidin-3-yltriazol-4-yl)ethanone
CID 164663675

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-piperidin-3-ylacetyl)azetidin-3-yl]triazole-4-carboxylic acid?
The IUPAC name of 1-[1-(2-piperidin-3-ylacetyl)azetidin-3-yl]triazole-4-carboxylic acid (CID 79312328) is 1-[1-(2-piperidin-3-ylacetyl)azetidin-3-yl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[1-(2-piperidin-3-ylacetyl)azetidin-3-yl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[1-(2-piperidin-3-ylacetyl)azetidin-3-yl]triazole-4-carboxylic acid is O=C(O)c1cn(C2CN(C(=O)CC3CCCNC3)C2)nn1.
What is the InChIKey of 1-[1-(2-piperidin-3-ylacetyl)azetidin-3-yl]triazole-4-carboxylic acid?
The InChIKey is DYIUMLYDFNDHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3/c19-12(4-9-2-1-3-14-5-9)17-6-10(7-17)18-8-11(13(20)21)15-16-18/h8-10,14H,1-7H2,(H,20,21).
What are the key properties of 1-[1-(2-piperidin-3-ylacetyl)azetidin-3-yl]triazole-4-carboxylic acid?
1-[1-(2-piperidin-3-ylacetyl)azetidin-3-yl]triazole-4-carboxylic acid has a molecular weight of 293.33 g/mol, XLogP of -0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-piperidin-3-ylacetyl)azetidin-3-yl]triazole-4-carboxylic acid is sourced from PubChem (CID 79312328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).