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

C12H18N6O3 — CID 79311493

IUPAC1-[1-(4-aminopiperidine-1-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid
SMILESNC1CCN(C(=O)N2CC(n3cc(C(=O)O)nn3)C2)CC1
InChIInChI=1S/C12H18N6O3/c13-8-1-3-16(4-2-8)12(21)17-5-9(6-17)18-7-10(11(19)20)14-15-18/h7-9H,1-6,13H2,(H,19,20)
InChIKeyNLOMYMCSCSLQDQ-UHFFFAOYSA-N
MW294.31 g/mol
LogP-0.62
Rot. Bonds2

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

1-[1-(4-aminopiperidine-1-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid (PubChem CID 79311493) has the molecular formula C12H18N6O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 1-[1-(4-aminopiperidine-1-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(4-aminopiperidine-1-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid
PubChem CID79311493
Molecular FormulaC12H18N6O3
Molecular Weight294.31 g/mol
Exact Mass294.14
IUPAC Name1-[1-(4-aminopiperidine-1-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid
SMILESNC1CCN(C(=O)N2CC(n3cc(C(=O)O)nn3)C2)CC1
InChIInChI=1S/C12H18N6O3/c13-8-1-3-16(4-2-8)12(21)17-5-9(6-17)18-7-10(11(19)20)14-15-18/h7-9H,1-6,13H2,(H,19,20)
InChIKeyNLOMYMCSCSLQDQ-UHFFFAOYSA-N
XLogP-0.62
TPSA117.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(3,4-dimethylpyrrolidine-1-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311104
1-[1-(2-methylpiperidine-1-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79310630
1-[1-(1,3-dihydroisoindole-2-carbonyl)piperidin-4-yl]triazole-4-carboxylic acid
CID 167889520
1-(1-prop-2-ynoylazetidin-3-yl)triazole-4-carboxylic acid
CID 79309642
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-(cyclopentylmethylcarbamoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311935
1-[1-(tert-butylcarbamoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311077
1-[1-[cyclopentyl(methyl)carbamoyl]azetidin-3-yl]triazole-4-carboxylic acid
CID 79309643
1-[1-(2-amino-4-carboxybutanoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311905
1-[1-[2-(1-aminocyclopentyl)acetyl]azetidin-3-yl]triazole-4-carboxylic acid
CID 79311906

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-aminopiperidine-1-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid?
The IUPAC name of 1-[1-(4-aminopiperidine-1-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid (CID 79311493) is 1-[1-(4-aminopiperidine-1-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[1-(4-aminopiperidine-1-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[1-(4-aminopiperidine-1-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid is NC1CCN(C(=O)N2CC(n3cc(C(=O)O)nn3)C2)CC1.
What is the InChIKey of 1-[1-(4-aminopiperidine-1-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid?
The InChIKey is NLOMYMCSCSLQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O3/c13-8-1-3-16(4-2-8)12(21)17-5-9(6-17)18-7-10(11(19)20)14-15-18/h7-9H,1-6,13H2,(H,19,20).
What are the key properties of 1-[1-(4-aminopiperidine-1-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid?
1-[1-(4-aminopiperidine-1-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid has a molecular weight of 294.31 g/mol, XLogP of -0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-aminopiperidine-1-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid is sourced from PubChem (CID 79311493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).