2-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-N-(3-fluorophenyl)-2-oxoacetamide

C18H21FN4O2 — CID 56741840

IUPAC2-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-N-(3-fluorophenyl)-2-oxoacetamide
SMILESCCc1cn[nH]c1C1CCCN(C(=O)C(=O)Nc2cccc(F)c2)C1
InChIInChI=1S/C18H21FN4O2/c1-2-12-10-20-22-16(12)13-5-4-8-23(11-13)18(25)17(24)21-15-7-3-6-14(19)9-15/h3,6-7,9-10,13H,2,4-5,8,11H2,1H3,(H,20,22)(H,21,24)
InChIKeyUHMHPEVIHUTULY-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.46
Rot. Bonds3

About 2-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-N-(3-fluorophenyl)-2-oxoacetamide

2-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-N-(3-fluorophenyl)-2-oxoacetamide (PubChem CID 56741840) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is 2-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-N-(3-fluorophenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-N-(3-fluorophenyl)-2-oxoacetamide
PubChem CID56741840
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name2-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-N-(3-fluorophenyl)-2-oxoacetamide
SMILESCCc1cn[nH]c1C1CCCN(C(=O)C(=O)Nc2cccc(F)c2)C1
InChIInChI=1S/C18H21FN4O2/c1-2-12-10-20-22-16(12)13-5-4-8-23(11-13)18(25)17(24)21-15-7-3-6-14(19)9-15/h3,6-7,9-10,13H,2,4-5,8,11H2,1H3,(H,20,22)(H,21,24)
InChIKeyUHMHPEVIHUTULY-UHFFFAOYSA-N
XLogP2.46
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-N-(3-fluorophenyl)-2-oxoacetamide?
The IUPAC name of 2-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-N-(3-fluorophenyl)-2-oxoacetamide (CID 56741840) is 2-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-N-(3-fluorophenyl)-2-oxoacetamide.
What is the SMILES notation for 2-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-N-(3-fluorophenyl)-2-oxoacetamide?
The canonical SMILES for 2-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-N-(3-fluorophenyl)-2-oxoacetamide is CCc1cn[nH]c1C1CCCN(C(=O)C(=O)Nc2cccc(F)c2)C1.
What is the InChIKey of 2-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-N-(3-fluorophenyl)-2-oxoacetamide?
The InChIKey is UHMHPEVIHUTULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-2-12-10-20-22-16(12)13-5-4-8-23(11-13)18(25)17(24)21-15-7-3-6-14(19)9-15/h3,6-7,9-10,13H,2,4-5,8,11H2,1H3,(H,20,22)(H,21,24).
What are the key properties of 2-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-N-(3-fluorophenyl)-2-oxoacetamide?
2-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-N-(3-fluorophenyl)-2-oxoacetamide has a molecular weight of 344.39 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-N-(3-fluorophenyl)-2-oxoacetamide is sourced from PubChem (CID 56741840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).