1-[1-(2-methylpiperidine-1-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid

C13H19N5O3 — CID 79310630

IUPAC1-[1-(2-methylpiperidine-1-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid
SMILESCC1CCCCN1C(=O)N1CC(n2cc(C(=O)O)nn2)C1
InChIInChI=1S/C13H19N5O3/c1-9-4-2-3-5-17(9)13(21)16-6-10(7-16)18-8-11(12(19)20)14-15-18/h8-10H,2-7H2,1H3,(H,19,20)
InChIKeyUIBBYMARKVHAJC-UHFFFAOYSA-N
MW293.33 g/mol
LogP0.83
Rot. Bonds2

About 1-[1-(2-methylpiperidine-1-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid

1-[1-(2-methylpiperidine-1-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid (PubChem CID 79310630) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is 1-[1-(2-methylpiperidine-1-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2-methylpiperidine-1-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid
PubChem CID79310630
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC Name1-[1-(2-methylpiperidine-1-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid
SMILESCC1CCCCN1C(=O)N1CC(n2cc(C(=O)O)nn2)C1
InChIInChI=1S/C13H19N5O3/c1-9-4-2-3-5-17(9)13(21)16-6-10(7-16)18-8-11(12(19)20)14-15-18/h8-10H,2-7H2,1H3,(H,19,20)
InChIKeyUIBBYMARKVHAJC-UHFFFAOYSA-N
XLogP0.83
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(3,4-dimethylpyrrolidine-1-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311104
1-(1-prop-2-ynoylazetidin-3-yl)triazole-4-carboxylic acid
CID 79309642
1-[1-(4-aminopiperidine-1-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311493
1-[1-[cyclopentyl(methyl)carbamoyl]azetidin-3-yl]triazole-4-carboxylic acid
CID 79309643
1-[1-(2-methylpropanoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79308885
1-[1-[(2R)-pyrrolidine-2-carbonyl]azetidin-3-yl]triazole-4-carboxylic acid
CID 104901262
1-[1-(3-cyclopentylpropanoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 75356198
1-[1-[(3-methylcyclopentyl)carbamoyl]azetidin-3-yl]triazole-4-carboxylic acid
CID 114548843
1-[1-(cyclopentylmethylcarbamoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311935
1-[1-(2-ethylcyclohexyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79308948
1-[1-(oxane-3-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79310648
1-[1-(tert-butylcarbamoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311077

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylpiperidine-1-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid?
The IUPAC name of 1-[1-(2-methylpiperidine-1-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid (CID 79310630) is 1-[1-(2-methylpiperidine-1-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[1-(2-methylpiperidine-1-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[1-(2-methylpiperidine-1-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid is CC1CCCCN1C(=O)N1CC(n2cc(C(=O)O)nn2)C1.
What is the InChIKey of 1-[1-(2-methylpiperidine-1-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid?
The InChIKey is UIBBYMARKVHAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3/c1-9-4-2-3-5-17(9)13(21)16-6-10(7-16)18-8-11(12(19)20)14-15-18/h8-10H,2-7H2,1H3,(H,19,20).
What are the key properties of 1-[1-(2-methylpiperidine-1-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid?
1-[1-(2-methylpiperidine-1-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid has a molecular weight of 293.33 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylpiperidine-1-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid is sourced from PubChem (CID 79310630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).