1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-oxopiperidine-3-carboxylic acid

C11H16N4O3 — CID 55057555

IUPAC1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-oxopiperidine-3-carboxylic acid
SMILESCC(c1nncn1C)N1CC(C(=O)O)CCC1=O
InChIInChI=1S/C11H16N4O3/c1-7(10-13-12-6-14(10)2)15-5-8(11(17)18)3-4-9(15)16/h6-8H,3-5H2,1-2H3,(H,17,18)
InChIKeyFBFONHBRJAJCMP-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.20
Rot. Bonds3

About 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-oxopiperidine-3-carboxylic acid

1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-oxopiperidine-3-carboxylic acid (PubChem CID 55057555) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-oxopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-oxopiperidine-3-carboxylic acid
PubChem CID55057555
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-oxopiperidine-3-carboxylic acid
SMILESCC(c1nncn1C)N1CC(C(=O)O)CCC1=O
InChIInChI=1S/C11H16N4O3/c1-7(10-13-12-6-14(10)2)15-5-8(11(17)18)3-4-9(15)16/h6-8H,3-5H2,1-2H3,(H,17,18)
InChIKeyFBFONHBRJAJCMP-UHFFFAOYSA-N
XLogP0.20
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-oxopiperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methyl-4H-1,2,4-triazol-3-yl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxylic acid
CID 165929942
rac-(2R,3S)-2-(4-methyl-4H-1,2,4-triazol-3-yl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxylic acid
CID 165938002
3-Methyl-5-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-5-oxopentanoic acid
CID 55201525
1-[2-(1,2,4-Triazol-1-yl)propanoyl]piperidine-3-carboxylic acid
CID 43211094
1-[(4,5-Dimethyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxylic acid
CID 43524949
5-[1-(4-Methyl-1,2,4-triazol-3-yl)ethylamino]-5-oxopentanoic acid
CID 54867804
3-Methyl-5-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-5-oxopentanoic acid
CID 55156178
1-[1-(4-Methyl-1,2,4-triazol-3-yl)ethylsulfamoyl]piperidine-3-carboxylic acid
CID 60859114
6-[3-(4-Methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-oxohexanoic acid
CID 60948872
2-[3-(4-Methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 60948968
5-[3-(4-Methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-oxopentanoic acid
CID 60949630
1-[(4-Methyl-1,2,4-triazol-3-yl)methylsulfamoyl]piperidine-3-carboxylic acid
CID 61004215

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-oxopiperidine-3-carboxylic acid?
The IUPAC name of 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-oxopiperidine-3-carboxylic acid (CID 55057555) is 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-oxopiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-oxopiperidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-oxopiperidine-3-carboxylic acid is CC(c1nncn1C)N1CC(C(=O)O)CCC1=O.
What is the InChIKey of 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-oxopiperidine-3-carboxylic acid?
The InChIKey is FBFONHBRJAJCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-7(10-13-12-6-14(10)2)15-5-8(11(17)18)3-4-9(15)16/h6-8H,3-5H2,1-2H3,(H,17,18).
What are the key properties of 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-oxopiperidine-3-carboxylic acid?
1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-oxopiperidine-3-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-oxopiperidine-3-carboxylic acid is sourced from PubChem (CID 55057555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).