1-[2-(2-pyrazol-1-ylethylamino)acetyl]piperidine-4-carboxylic acid

C13H20N4O3 — CID 103247153

IUPAC1-[2-(2-pyrazol-1-ylethylamino)acetyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)CNCCn2cccn2)CC1
InChIInChI=1S/C13H20N4O3/c18-12(10-14-5-9-17-6-1-4-15-17)16-7-2-11(3-8-16)13(19)20/h1,4,6,11,14H,2-3,5,7-10H2,(H,19,20)
InChIKeyZTDIZKJZPVZDIX-UHFFFAOYSA-N
MW280.33 g/mol
LogP-0.20
Rot. Bonds6

About 1-[2-(2-pyrazol-1-ylethylamino)acetyl]piperidine-4-carboxylic acid

1-[2-(2-pyrazol-1-ylethylamino)acetyl]piperidine-4-carboxylic acid (PubChem CID 103247153) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-[2-(2-pyrazol-1-ylethylamino)acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-pyrazol-1-ylethylamino)acetyl]piperidine-4-carboxylic acid
PubChem CID103247153
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name1-[2-(2-pyrazol-1-ylethylamino)acetyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)CNCCn2cccn2)CC1
InChIInChI=1S/C13H20N4O3/c18-12(10-14-5-9-17-6-1-4-15-17)16-7-2-11(3-8-16)13(19)20/h1,4,6,11,14H,2-3,5,7-10H2,(H,19,20)
InChIKeyZTDIZKJZPVZDIX-UHFFFAOYSA-N
XLogP-0.20
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-pyrazol-1-ylethylsulfamoyl)piperidine-4-carboxylic acid
CID 61462648
4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784513
1-(2-pyrazol-1-ylethylcarbamoyl)piperidine-3-carboxylic acid
CID 61461167
1-[2-(2-methoxyethylamino)acetyl]piperidine-4-carboxylic acid
CID 79280780
N-cyclohexyl-2-(2-pyrazol-1-ylethylamino)acetamide
CID 54951795
1-[2-[(3-ethoxy-3-oxopropyl)amino]acetyl]piperidine-4-carboxylic acid
CID 103245400
1-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]piperidine-4-carboxylic acid
CID 103239210
1-[2-[[3-(dimethylamino)-3-oxopropyl]amino]acetyl]piperidine-4-carboxylic acid
CID 103244738
1-[2-(3-methoxypropylamino)acetyl]piperidine-4-carboxylic acid
CID 103237166
1-[2-(3-methylsulfanylpropylamino)acetyl]piperidine-4-carboxylic acid
CID 103252031
3-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784343
4-hydroxy-4-[(3-pyrazol-1-ylpropylamino)methyl]cyclohexane-1-carboxylic acid
CID 106499734

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-pyrazol-1-ylethylamino)acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(2-pyrazol-1-ylethylamino)acetyl]piperidine-4-carboxylic acid (CID 103247153) is 1-[2-(2-pyrazol-1-ylethylamino)acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(2-pyrazol-1-ylethylamino)acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(2-pyrazol-1-ylethylamino)acetyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)CNCCn2cccn2)CC1.
What is the InChIKey of 1-[2-(2-pyrazol-1-ylethylamino)acetyl]piperidine-4-carboxylic acid?
The InChIKey is ZTDIZKJZPVZDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c18-12(10-14-5-9-17-6-1-4-15-17)16-7-2-11(3-8-16)13(19)20/h1,4,6,11,14H,2-3,5,7-10H2,(H,19,20).
What are the key properties of 1-[2-(2-pyrazol-1-ylethylamino)acetyl]piperidine-4-carboxylic acid?
1-[2-(2-pyrazol-1-ylethylamino)acetyl]piperidine-4-carboxylic acid has a molecular weight of 280.33 g/mol, XLogP of -0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-pyrazol-1-ylethylamino)acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 103247153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).