1-[2-(piperidin-1-ylcarbamoylamino)ethyl]triazole-4-carboxylic acid

C11H18N6O3 — CID 83020136

IUPAC1-[2-(piperidin-1-ylcarbamoylamino)ethyl]triazole-4-carboxylic acid
SMILESO=C(NCCn1cc(C(=O)O)nn1)NN1CCCCC1
InChIInChI=1S/C11H18N6O3/c18-10(19)9-8-17(15-13-9)7-4-12-11(20)14-16-5-2-1-3-6-16/h8H,1-7H2,(H,18,19)(H2,12,14,20)
InChIKeyIXIAZZGWCFTYEJ-UHFFFAOYSA-N
MW282.30 g/mol
LogP-0.32
Rot. Bonds5

About 1-[2-(piperidin-1-ylcarbamoylamino)ethyl]triazole-4-carboxylic acid

1-[2-(piperidin-1-ylcarbamoylamino)ethyl]triazole-4-carboxylic acid (PubChem CID 83020136) has the molecular formula C11H18N6O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 1-[2-(piperidin-1-ylcarbamoylamino)ethyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(piperidin-1-ylcarbamoylamino)ethyl]triazole-4-carboxylic acid
PubChem CID83020136
Molecular FormulaC11H18N6O3
Molecular Weight282.30 g/mol
Exact Mass282.14
IUPAC Name1-[2-(piperidin-1-ylcarbamoylamino)ethyl]triazole-4-carboxylic acid
SMILESO=C(NCCn1cc(C(=O)O)nn1)NN1CCCCC1
InChIInChI=1S/C11H18N6O3/c18-10(19)9-8-17(15-13-9)7-4-12-11(20)14-16-5-2-1-3-6-16/h8H,1-7H2,(H,18,19)(H2,12,14,20)
InChIKeyIXIAZZGWCFTYEJ-UHFFFAOYSA-N
XLogP-0.32
TPSA112.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[3-(propan-2-ylamino)propanoylamino]ethyl]triazole-4-carboxylic acid
CID 107500250
1-[2-[[2-(propan-2-ylamino)acetyl]amino]ethyl]triazole-4-carboxylic acid
CID 107500149
1-[2-[(3-aminocyclopentanecarbonyl)amino]ethyl]triazole-4-carboxylic acid
CID 107500233
1-[2-[(1-hydroxycyclobutyl)methylamino]ethyl]triazole-4-carboxylic acid
CID 103268366
1-[2-(2-but-3-enoxyethylcarbamoylamino)ethyl]triazole-4-carboxylic acid
CID 106405060
1-[2-(3-hydroxypropylamino)ethyl]triazole-4-carboxylic acid
CID 103238187
1-[2-[(4-carbamoylcyclohexyl)amino]ethyl]triazole-4-carboxylic acid
CID 103242627
1-[2-(6-aminohexanoylamino)ethyl]triazole-4-carboxylic acid
CID 107500147
1-[2-[(2,3-dihydroxybenzoyl)amino]ethyl]triazole-4-carboxylic acid
CID 114343389
1-[2-(azepan-1-yl)-2-oxoethyl]triazole-4-carboxylic acid
CID 62059933
1-(2-fluoroethyl)triazole-4-carboxylic acid
CID 79006648
1-[2-[(2-amino-1-methylcyclopentanecarbonyl)amino]ethyl]triazole-4-carboxylic acid
CID 107500199

Frequently Asked Questions

What is the IUPAC name of 1-[2-(piperidin-1-ylcarbamoylamino)ethyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[2-(piperidin-1-ylcarbamoylamino)ethyl]triazole-4-carboxylic acid (CID 83020136) is 1-[2-(piperidin-1-ylcarbamoylamino)ethyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-(piperidin-1-ylcarbamoylamino)ethyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[2-(piperidin-1-ylcarbamoylamino)ethyl]triazole-4-carboxylic acid is O=C(NCCn1cc(C(=O)O)nn1)NN1CCCCC1.
What is the InChIKey of 1-[2-(piperidin-1-ylcarbamoylamino)ethyl]triazole-4-carboxylic acid?
The InChIKey is IXIAZZGWCFTYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O3/c18-10(19)9-8-17(15-13-9)7-4-12-11(20)14-16-5-2-1-3-6-16/h8H,1-7H2,(H,18,19)(H2,12,14,20).
What are the key properties of 1-[2-(piperidin-1-ylcarbamoylamino)ethyl]triazole-4-carboxylic acid?
1-[2-(piperidin-1-ylcarbamoylamino)ethyl]triazole-4-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of -0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(piperidin-1-ylcarbamoylamino)ethyl]triazole-4-carboxylic acid is sourced from PubChem (CID 83020136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).