2-[1-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)piperidin-4-yl]oxyacetic acid

C11H17N5O4 — CID 64523338

IUPAC2-[1-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(C(=O)NCc2ncn[nH]2)CC1
InChIInChI=1S/C11H17N5O4/c17-10(18)6-20-8-1-3-16(4-2-8)11(19)12-5-9-13-7-14-15-9/h7-8H,1-6H2,(H,12,19)(H,17,18)(H,13,14,15)
InChIKeyIIYIZVUEQUMXBM-UHFFFAOYSA-N
MW283.29 g/mol
LogP-0.42
Rot. Bonds5

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

2-[1-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)piperidin-4-yl]oxyacetic acid (PubChem CID 64523338) has the molecular formula C11H17N5O4 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-[1-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)piperidin-4-yl]oxyacetic acid
PubChem CID64523338
Molecular FormulaC11H17N5O4
Molecular Weight283.29 g/mol
Exact Mass283.13
IUPAC Name2-[1-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(C(=O)NCc2ncn[nH]2)CC1
InChIInChI=1S/C11H17N5O4/c17-10(18)6-20-8-1-3-16(4-2-8)11(19)12-5-9-13-7-14-15-9/h7-8H,1-6H2,(H,12,19)(H,17,18)(H,13,14,15)
InChIKeyIIYIZVUEQUMXBM-UHFFFAOYSA-N
XLogP-0.42
TPSA120.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)piperidin-4-yl]oxyacetic acid (CID 64523338) is 2-[1-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)piperidin-4-yl]oxyacetic acid is O=C(O)COC1CCN(C(=O)NCc2ncn[nH]2)CC1.
What is the InChIKey of 2-[1-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)piperidin-4-yl]oxyacetic acid?
The InChIKey is IIYIZVUEQUMXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O4/c17-10(18)6-20-8-1-3-16(4-2-8)11(19)12-5-9-13-7-14-15-9/h7-8H,1-6H2,(H,12,19)(H,17,18)(H,13,14,15).
What are the key properties of 2-[1-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)piperidin-4-yl]oxyacetic acid?
2-[1-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)piperidin-4-yl]oxyacetic acid has a molecular weight of 283.29 g/mol, XLogP of -0.42, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 64523338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).