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

C13H21N5O2 — CID 79311767

IUPAC1-[1-(2-piperidin-1-ylethyl)azetidin-3-yl]triazole-4-carboxylic acid
SMILESO=C(O)c1cn(C2CN(CCN3CCCCC3)C2)nn1
InChIInChI=1S/C13H21N5O2/c19-13(20)12-10-18(15-14-12)11-8-17(9-11)7-6-16-4-2-1-3-5-16/h10-11H,1-9H2,(H,19,20)
InChIKeyCRKPOIVGSUTXNZ-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.32
Rot. Bonds5

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

1-[1-(2-piperidin-1-ylethyl)azetidin-3-yl]triazole-4-carboxylic acid (PubChem CID 79311767) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-[1-(2-piperidin-1-ylethyl)azetidin-3-yl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2-piperidin-1-ylethyl)azetidin-3-yl]triazole-4-carboxylic acid
PubChem CID79311767
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name1-[1-(2-piperidin-1-ylethyl)azetidin-3-yl]triazole-4-carboxylic acid
SMILESO=C(O)c1cn(C2CN(CCN3CCCCC3)C2)nn1
InChIInChI=1S/C13H21N5O2/c19-13(20)12-10-18(15-14-12)11-8-17(9-11)7-6-16-4-2-1-3-5-16/h10-11H,1-9H2,(H,19,20)
InChIKeyCRKPOIVGSUTXNZ-UHFFFAOYSA-N
XLogP0.32
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(3-aminopropyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79309694
1-(1-pentylazetidin-3-yl)triazole-4-carboxylic acid
CID 79309450
1-[1-(2-ethylsulfonylethyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311999
1-[1-[2-(1-methylpiperidin-2-yl)ethyl]azetidin-3-yl]triazole-4-carboxylic acid
CID 79310159
1-[1-(3-ethylsulfonylpropyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311135
1-[1-(2-propoxyethyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 106454766
1-[1-(2-propan-2-yloxyethyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79309451
1-(1-pyrrolidin-1-ylsulfonylazetidin-3-yl)triazole-4-carboxylic acid
CID 79312190
1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]azetidin-3-yl]triazole-4-carboxylic acid
CID 79309455
1-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]azetidin-3-yl]triazole-4-carboxylic acid
CID 79310197
1-[1-[2-(ethylamino)-2-oxoethyl]azetidin-3-yl]triazole-4-carboxylic acid
CID 79311995
1-(1-prop-2-ynoylazetidin-3-yl)triazole-4-carboxylic acid
CID 79309642

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-piperidin-1-ylethyl)azetidin-3-yl]triazole-4-carboxylic acid?
The IUPAC name of 1-[1-(2-piperidin-1-ylethyl)azetidin-3-yl]triazole-4-carboxylic acid (CID 79311767) is 1-[1-(2-piperidin-1-ylethyl)azetidin-3-yl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[1-(2-piperidin-1-ylethyl)azetidin-3-yl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[1-(2-piperidin-1-ylethyl)azetidin-3-yl]triazole-4-carboxylic acid is O=C(O)c1cn(C2CN(CCN3CCCCC3)C2)nn1.
What is the InChIKey of 1-[1-(2-piperidin-1-ylethyl)azetidin-3-yl]triazole-4-carboxylic acid?
The InChIKey is CRKPOIVGSUTXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c19-13(20)12-10-18(15-14-12)11-8-17(9-11)7-6-16-4-2-1-3-5-16/h10-11H,1-9H2,(H,19,20).
What are the key properties of 1-[1-(2-piperidin-1-ylethyl)azetidin-3-yl]triazole-4-carboxylic acid?
1-[1-(2-piperidin-1-ylethyl)azetidin-3-yl]triazole-4-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-piperidin-1-ylethyl)azetidin-3-yl]triazole-4-carboxylic acid is sourced from PubChem (CID 79311767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).