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

C12H19N5O4 — CID 106283441

IUPAC2-[1-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]piperidin-4-yl]oxyacetic acid
SMILESCC(NC(=O)N1CCC(OCC(=O)O)CC1)c1ncn[nH]1
InChIInChI=1S/C12H19N5O4/c1-8(11-13-7-14-16-11)15-12(20)17-4-2-9(3-5-17)21-6-10(18)19/h7-9H,2-6H2,1H3,(H,15,20)(H,18,19)(H,13,14,16)
InChIKeyJZJGVUGLLNREHZ-UHFFFAOYSA-N
MW297.31 g/mol
LogP0.14
Rot. Bonds5

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

2-[1-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]piperidin-4-yl]oxyacetic acid (PubChem CID 106283441) has the molecular formula C12H19N5O4 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-[1-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]piperidin-4-yl]oxyacetic acid
PubChem CID106283441
Molecular FormulaC12H19N5O4
Molecular Weight297.31 g/mol
Exact Mass297.14
IUPAC Name2-[1-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]piperidin-4-yl]oxyacetic acid
SMILESCC(NC(=O)N1CCC(OCC(=O)O)CC1)c1ncn[nH]1
InChIInChI=1S/C12H19N5O4/c1-8(11-13-7-14-16-11)15-12(20)17-4-2-9(3-5-17)21-6-10(18)19/h7-9H,2-6H2,1H3,(H,15,20)(H,18,19)(H,13,14,16)
InChIKeyJZJGVUGLLNREHZ-UHFFFAOYSA-N
XLogP0.14
TPSA120.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(4-Methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]morpholine-2-carboxylic acid
CID 62118146
2-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]oxyacetic acid
CID 63870383
2-[1-[(4-Methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidin-4-yl]oxyacetic acid
CID 63875593
2-[1-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]piperidin-4-yl]oxyacetic acid
CID 64517526
N-methyl-2-piperidin-4-yloxy-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 64519799
4-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]morpholine-2-carboxylic acid
CID 64519842
2-[1-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]piperidin-4-yl]oxyacetic acid
CID 64523127
2-[1-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 64523338
3-[1-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)piperidin-4-yl]oxypropanoic acid
CID 64523342
4-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]morpholine-2-carboxylic acid
CID 64525494
4-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)morpholine-2-carboxylic acid
CID 64525908
4-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]morpholine-2-carboxylic acid
CID 64532361

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]piperidin-4-yl]oxyacetic acid (CID 106283441) is 2-[1-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]piperidin-4-yl]oxyacetic acid is CC(NC(=O)N1CCC(OCC(=O)O)CC1)c1ncn[nH]1.
What is the InChIKey of 2-[1-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]piperidin-4-yl]oxyacetic acid?
The InChIKey is JZJGVUGLLNREHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O4/c1-8(11-13-7-14-16-11)15-12(20)17-4-2-9(3-5-17)21-6-10(18)19/h7-9H,2-6H2,1H3,(H,15,20)(H,18,19)(H,13,14,16).
What are the key properties of 2-[1-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]piperidin-4-yl]oxyacetic acid?
2-[1-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]piperidin-4-yl]oxyacetic acid has a molecular weight of 297.31 g/mol, XLogP of 0.14, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 106283441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).