2-[1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidin-4-yl]oxyacetic acid

C12H19N5O4 — CID 63875593

IUPAC2-[1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidin-4-yl]oxyacetic acid
SMILESCn1cnnc1CNC(=O)N1CCC(OCC(=O)O)CC1
InChIInChI=1S/C12H19N5O4/c1-16-8-14-15-10(16)6-13-12(20)17-4-2-9(3-5-17)21-7-11(18)19/h8-9H,2-7H2,1H3,(H,13,20)(H,18,19)
InChIKeyUXACMFRHPKSAPT-UHFFFAOYSA-N
MW297.31 g/mol
LogP-0.41
Rot. Bonds5

About 2-[1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidin-4-yl]oxyacetic acid

2-[1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidin-4-yl]oxyacetic acid (PubChem CID 63875593) has the molecular formula C12H19N5O4 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-[1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidin-4-yl]oxyacetic acid
PubChem CID63875593
Molecular FormulaC12H19N5O4
Molecular Weight297.31 g/mol
Exact Mass297.14
IUPAC Name2-[1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidin-4-yl]oxyacetic acid
SMILESCn1cnnc1CNC(=O)N1CCC(OCC(=O)O)CC1
InChIInChI=1S/C12H19N5O4/c1-16-8-14-15-10(16)6-13-12(20)17-4-2-9(3-5-17)21-7-11(18)19/h8-9H,2-7H2,1H3,(H,13,20)(H,18,19)
InChIKeyUXACMFRHPKSAPT-UHFFFAOYSA-N
XLogP-0.41
TPSA109.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidin-4-yl]oxyacetic acid (CID 63875593) is 2-[1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidin-4-yl]oxyacetic acid is Cn1cnnc1CNC(=O)N1CCC(OCC(=O)O)CC1.
What is the InChIKey of 2-[1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidin-4-yl]oxyacetic acid?
The InChIKey is UXACMFRHPKSAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O4/c1-16-8-14-15-10(16)6-13-12(20)17-4-2-9(3-5-17)21-7-11(18)19/h8-9H,2-7H2,1H3,(H,13,20)(H,18,19).
What are the key properties of 2-[1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidin-4-yl]oxyacetic acid?
2-[1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidin-4-yl]oxyacetic acid has a molecular weight of 297.31 g/mol, XLogP of -0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 63875593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).