2-methyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid

C13H21N5O3 — CID 106744300

IUPAC2-methyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)NCCc1nncn1C
InChIInChI=1S/C13H21N5O3/c1-9-7-10(12(19)20)4-6-18(9)13(21)14-5-3-11-16-15-8-17(11)2/h8-10H,3-7H2,1-2H3,(H,14,21)(H,19,20)
InChIKeyIVUYVNGAZHSPKB-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.25
Rot. Bonds4

About 2-methyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid

2-methyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid (PubChem CID 106744300) has the molecular formula C13H21N5O3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-methyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
PubChem CID106744300
Molecular FormulaC13H21N5O3
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC Name2-methyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)NCCc1nncn1C
InChIInChI=1S/C13H21N5O3/c1-9-7-10(12(19)20)4-6-18(9)13(21)14-5-3-11-16-15-8-17(11)2/h8-10H,3-7H2,1-2H3,(H,14,21)(H,19,20)
InChIKeyIVUYVNGAZHSPKB-UHFFFAOYSA-N
XLogP0.25
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 2-methyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid (CID 106744300) is 2-methyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid is CC1CC(C(=O)O)CCN1C(=O)NCCc1nncn1C.
What is the InChIKey of 2-methyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid?
The InChIKey is IVUYVNGAZHSPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3/c1-9-7-10(12(19)20)4-6-18(9)13(21)14-5-3-11-16-15-8-17(11)2/h8-10H,3-7H2,1-2H3,(H,14,21)(H,19,20).
What are the key properties of 2-methyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid?
2-methyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 106744300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).