2-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]oxyacetic acid

C10H14N4O4 — CID 63870383

IUPAC2-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(C(=O)c2ncn[nH]2)CC1
InChIInChI=1S/C10H14N4O4/c15-8(16)5-18-7-1-3-14(4-2-7)10(17)9-11-6-12-13-9/h6-7H,1-5H2,(H,15,16)(H,11,12,13)
InChIKeyBBAZVXWNCFYXOD-UHFFFAOYSA-N
MW254.25 g/mol
LogP-0.49
Rot. Bonds4

About 2-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]oxyacetic acid

2-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]oxyacetic acid (PubChem CID 63870383) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]oxyacetic acid
PubChem CID63870383
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name2-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(C(=O)c2ncn[nH]2)CC1
InChIInChI=1S/C10H14N4O4/c15-8(16)5-18-7-1-3-14(4-2-7)10(17)9-11-6-12-13-9/h6-7H,1-5H2,(H,15,16)(H,11,12,13)
InChIKeyBBAZVXWNCFYXOD-UHFFFAOYSA-N
XLogP-0.49
TPSA108.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]oxyacetic acid (CID 63870383) is 2-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]oxyacetic acid is O=C(O)COC1CCN(C(=O)c2ncn[nH]2)CC1.
What is the InChIKey of 2-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]oxyacetic acid?
The InChIKey is BBAZVXWNCFYXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4/c15-8(16)5-18-7-1-3-14(4-2-7)10(17)9-11-6-12-13-9/h6-7H,1-5H2,(H,15,16)(H,11,12,13).
What are the key properties of 2-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]oxyacetic acid?
2-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]oxyacetic acid has a molecular weight of 254.25 g/mol, XLogP of -0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 63870383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).