4-propyl-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-4-carboxylic acid

C13H20N4O3 — CID 63125606

IUPAC4-propyl-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)Cn2cncn2)CC1
InChIInChI=1S/C13H20N4O3/c1-2-3-13(12(19)20)4-6-16(7-5-13)11(18)8-17-10-14-9-15-17/h9-10H,2-8H2,1H3,(H,19,20)
InChIKeyGPZHLTBEYAWHJV-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.77
Rot. Bonds5

About 4-propyl-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-4-carboxylic acid

4-propyl-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-4-carboxylic acid (PubChem CID 63125606) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-propyl-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-propyl-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-4-carboxylic acid
PubChem CID63125606
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name4-propyl-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)Cn2cncn2)CC1
InChIInChI=1S/C13H20N4O3/c1-2-3-13(12(19)20)4-6-16(7-5-13)11(18)8-17-10-14-9-15-17/h9-10H,2-8H2,1H3,(H,19,20)
InChIKeyGPZHLTBEYAWHJV-UHFFFAOYSA-N
XLogP0.77
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-propyl-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-carboxylic acid
CID 63134195
3-propyl-1-[2-(1,2,4-triazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 63144947
4-propylpiperidine-1,4-dicarboxylic acid
CID 91190681
1-acetyl-4-propylpiperidine-4-carboxylic acid
CID 63125183
4-ethyl-1-(2-pyrazol-1-ylacetyl)piperidine-4-carboxylic acid
CID 63125421
1-(3-imidazol-1-ylpropanoyl)-4-propylpiperidine-4-carboxylic acid
CID 63125704
1-hexanoyl-4-propylpiperidine-4-carboxylic acid
CID 55178926
4-propyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid
CID 63126397
1-(2-propan-2-ylsulfanylacetyl)-4-propylpiperidine-4-carboxylic acid
CID 63125609
1-[2-(propan-2-ylamino)acetyl]-4-propylpiperidine-4-carboxylic acid
CID 63125470
1-(3,4-dihydroxypyrrolidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone
CID 106671113
4-propyl-1-(pyrimidin-5-ylcarbamoyl)piperidine-4-carboxylic acid
CID 107589365

Frequently Asked Questions

What is the IUPAC name of 4-propyl-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-propyl-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-4-carboxylic acid (CID 63125606) is 4-propyl-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-propyl-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-propyl-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-4-carboxylic acid is CCCC1(C(=O)O)CCN(C(=O)Cn2cncn2)CC1.
What is the InChIKey of 4-propyl-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-4-carboxylic acid?
The InChIKey is GPZHLTBEYAWHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-2-3-13(12(19)20)4-6-16(7-5-13)11(18)8-17-10-14-9-15-17/h9-10H,2-8H2,1H3,(H,19,20).
What are the key properties of 4-propyl-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-4-carboxylic acid?
4-propyl-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-4-carboxylic acid has a molecular weight of 280.33 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 63125606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).