2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxo-N-(1-phenyl-2-pyrazol-1-ylethyl)acetamide

C21H24N6O2 — CID 166202372

IUPAC2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxo-N-(1-phenyl-2-pyrazol-1-ylethyl)acetamide
SMILESO=C(NC(Cn1cccn1)c1ccccc1)C(=O)N1CCC(c2ncc[nH]2)CC1
InChIInChI=1S/C21H24N6O2/c28-20(21(29)26-13-7-17(8-14-26)19-22-10-11-23-19)25-18(15-27-12-4-9-24-27)16-5-2-1-3-6-16/h1-6,9-12,17-18H,7-8,13-15H2,(H,22,23)(H,25,28)
InChIKeyVJYBKHKTRUWUDS-UHFFFAOYSA-N
MW392.46 g/mol
LogP1.87
Rot. Bonds5

About 2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxo-N-(1-phenyl-2-pyrazol-1-ylethyl)acetamide

2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxo-N-(1-phenyl-2-pyrazol-1-ylethyl)acetamide (PubChem CID 166202372) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxo-N-(1-phenyl-2-pyrazol-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxo-N-(1-phenyl-2-pyrazol-1-ylethyl)acetamide
PubChem CID166202372
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxo-N-(1-phenyl-2-pyrazol-1-ylethyl)acetamide
SMILESO=C(NC(Cn1cccn1)c1ccccc1)C(=O)N1CCC(c2ncc[nH]2)CC1
InChIInChI=1S/C21H24N6O2/c28-20(21(29)26-13-7-17(8-14-26)19-22-10-11-23-19)25-18(15-27-12-4-9-24-27)16-5-2-1-3-6-16/h1-6,9-12,17-18H,7-8,13-15H2,(H,22,23)(H,25,28)
InChIKeyVJYBKHKTRUWUDS-UHFFFAOYSA-N
XLogP1.87
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxo-N-(1-phenyl-2-pyrazol-1-ylethyl)acetamide?
The IUPAC name of 2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxo-N-(1-phenyl-2-pyrazol-1-ylethyl)acetamide (CID 166202372) is 2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxo-N-(1-phenyl-2-pyrazol-1-ylethyl)acetamide.
What is the SMILES notation for 2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxo-N-(1-phenyl-2-pyrazol-1-ylethyl)acetamide?
The canonical SMILES for 2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxo-N-(1-phenyl-2-pyrazol-1-ylethyl)acetamide is O=C(NC(Cn1cccn1)c1ccccc1)C(=O)N1CCC(c2ncc[nH]2)CC1.
What is the InChIKey of 2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxo-N-(1-phenyl-2-pyrazol-1-ylethyl)acetamide?
The InChIKey is VJYBKHKTRUWUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c28-20(21(29)26-13-7-17(8-14-26)19-22-10-11-23-19)25-18(15-27-12-4-9-24-27)16-5-2-1-3-6-16/h1-6,9-12,17-18H,7-8,13-15H2,(H,22,23)(H,25,28).
What are the key properties of 2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxo-N-(1-phenyl-2-pyrazol-1-ylethyl)acetamide?
2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxo-N-(1-phenyl-2-pyrazol-1-ylethyl)acetamide has a molecular weight of 392.46 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxo-N-(1-phenyl-2-pyrazol-1-ylethyl)acetamide is sourced from PubChem (CID 166202372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).