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

C12H19N5O4 — CID 64517526

IUPAC2-[1-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]piperidin-4-yl]oxyacetic acid
SMILESCN(Cc1ncn[nH]1)C(=O)N1CCC(OCC(=O)O)CC1
InChIInChI=1S/C12H19N5O4/c1-16(6-10-13-8-14-15-10)12(20)17-4-2-9(3-5-17)21-7-11(18)19/h8-9H,2-7H2,1H3,(H,18,19)(H,13,14,15)
InChIKeyHZCXLLJXIHHYIQ-UHFFFAOYSA-N
MW297.31 g/mol
LogP-0.08
Rot. Bonds5

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

2-[1-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]piperidin-4-yl]oxyacetic acid (PubChem CID 64517526) has the molecular formula C12H19N5O4 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-[1-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]piperidin-4-yl]oxyacetic acid
PubChem CID64517526
Molecular FormulaC12H19N5O4
Molecular Weight297.31 g/mol
Exact Mass297.14
IUPAC Name2-[1-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]piperidin-4-yl]oxyacetic acid
SMILESCN(Cc1ncn[nH]1)C(=O)N1CCC(OCC(=O)O)CC1
InChIInChI=1S/C12H19N5O4/c1-16(6-10-13-8-14-15-10)12(20)17-4-2-9(3-5-17)21-7-11(18)19/h8-9H,2-7H2,1H3,(H,18,19)(H,13,14,15)
InChIKeyHZCXLLJXIHHYIQ-UHFFFAOYSA-N
XLogP-0.08
TPSA111.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]piperidin-4-yl]oxyacetic acid (CID 64517526) is 2-[1-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]piperidin-4-yl]oxyacetic acid is CN(Cc1ncn[nH]1)C(=O)N1CCC(OCC(=O)O)CC1.
What is the InChIKey of 2-[1-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]piperidin-4-yl]oxyacetic acid?
The InChIKey is HZCXLLJXIHHYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O4/c1-16(6-10-13-8-14-15-10)12(20)17-4-2-9(3-5-17)21-7-11(18)19/h8-9H,2-7H2,1H3,(H,18,19)(H,13,14,15).
What are the key properties of 2-[1-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]piperidin-4-yl]oxyacetic acid?
2-[1-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]piperidin-4-yl]oxyacetic acid has a molecular weight of 297.31 g/mol, XLogP of -0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 64517526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).