2-[1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]piperidin-4-yl]oxyacetic acid

C12H19N5O4 — CID 115459912

IUPAC2-[1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]piperidin-4-yl]oxyacetic acid
SMILESNCc1cn(CC(=O)N2CCC(OCC(=O)O)CC2)nn1
InChIInChI=1S/C12H19N5O4/c13-5-9-6-17(15-14-9)7-11(18)16-3-1-10(2-4-16)21-8-12(19)20/h6,10H,1-5,7-8,13H2,(H,19,20)
InChIKeyUVIJZEIAJOMCNP-UHFFFAOYSA-N
MW297.31 g/mol
LogP-1.17
Rot. Bonds6

About 2-[1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]piperidin-4-yl]oxyacetic acid

2-[1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]piperidin-4-yl]oxyacetic acid (PubChem CID 115459912) has the molecular formula C12H19N5O4 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-[1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]piperidin-4-yl]oxyacetic acid
PubChem CID115459912
Molecular FormulaC12H19N5O4
Molecular Weight297.31 g/mol
Exact Mass297.14
IUPAC Name2-[1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]piperidin-4-yl]oxyacetic acid
SMILESNCc1cn(CC(=O)N2CCC(OCC(=O)O)CC2)nn1
InChIInChI=1S/C12H19N5O4/c13-5-9-6-17(15-14-9)7-11(18)16-3-1-10(2-4-16)21-8-12(19)20/h6,10H,1-5,7-8,13H2,(H,19,20)
InChIKeyUVIJZEIAJOMCNP-UHFFFAOYSA-N
XLogP-1.17
TPSA123.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]piperidine-4-carboxamide
CID 115458891
2-[4-(aminomethyl)triazol-1-yl]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 115459483
1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]pyrrolidine-3-carboxylic acid
CID 113314176
2-[4-(aminomethyl)triazol-1-yl]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 113314232
ethyl 1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]piperidine-3-carboxylate
CID 115458921
2-[4-(aminomethyl)triazol-1-yl]-1-(2-cyclopentylpyrrolidin-1-yl)ethanone
CID 115459724
2-(4-acetyltriazol-1-yl)-1-[4-(cyclopentylmethoxy)piperidin-1-yl]ethanone
CID 136545882
2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]oxyacetic acid
CID 63903774
2-(4-aminotriazol-1-yl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 112531193
1-(4-acetylpiperazin-1-yl)-2-[4-(3-aminopropyl)triazol-1-yl]ethanone
CID 106221205
2-[4-(aminomethyl)triazol-1-yl]-1-cyclobutylethanone
CID 116599888
2-[4-(3-aminopropyl)triazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 106221300

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]piperidin-4-yl]oxyacetic acid (CID 115459912) is 2-[1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]piperidin-4-yl]oxyacetic acid is NCc1cn(CC(=O)N2CCC(OCC(=O)O)CC2)nn1.
What is the InChIKey of 2-[1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]piperidin-4-yl]oxyacetic acid?
The InChIKey is UVIJZEIAJOMCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O4/c13-5-9-6-17(15-14-9)7-11(18)16-3-1-10(2-4-16)21-8-12(19)20/h6,10H,1-5,7-8,13H2,(H,19,20).
What are the key properties of 2-[1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]piperidin-4-yl]oxyacetic acid?
2-[1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]piperidin-4-yl]oxyacetic acid has a molecular weight of 297.31 g/mol, XLogP of -1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 115459912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).