1-[2-(3-fluorophenyl)acetyl]-N'-(4-methylbenzoyl)piperidine-4-carbohydrazide

C22H24FN3O3 — CID 46256797

IUPAC1-[2-(3-fluorophenyl)acetyl]-N'-(4-methylbenzoyl)piperidine-4-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)C2CCN(C(=O)Cc3cccc(F)c3)CC2)cc1
InChIInChI=1S/C22H24FN3O3/c1-15-5-7-17(8-6-15)21(28)24-25-22(29)18-9-11-26(12-10-18)20(27)14-16-3-2-4-19(23)13-16/h2-8,13,18H,9-12,14H2,1H3,(H,24,28)(H,25,29)
InChIKeyZTJRHLQEGBHNIT-UHFFFAOYSA-N
MW397.45 g/mol
LogP2.38
Rot. Bonds4

About 1-[2-(3-fluorophenyl)acetyl]-N'-(4-methylbenzoyl)piperidine-4-carbohydrazide

1-[2-(3-fluorophenyl)acetyl]-N'-(4-methylbenzoyl)piperidine-4-carbohydrazide (PubChem CID 46256797) has the molecular formula C22H24FN3O3 and a molecular weight of 397.45 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)acetyl]-N'-(4-methylbenzoyl)piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)acetyl]-N'-(4-methylbenzoyl)piperidine-4-carbohydrazide
PubChem CID46256797
Molecular FormulaC22H24FN3O3
Molecular Weight397.45 g/mol
Exact Mass397.18
IUPAC Name1-[2-(3-fluorophenyl)acetyl]-N'-(4-methylbenzoyl)piperidine-4-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)C2CCN(C(=O)Cc3cccc(F)c3)CC2)cc1
InChIInChI=1S/C22H24FN3O3/c1-15-5-7-17(8-6-15)21(28)24-25-22(29)18-9-11-26(12-10-18)20(27)14-16-3-2-4-19(23)13-16/h2-8,13,18H,9-12,14H2,1H3,(H,24,28)(H,25,29)
InChIKeyZTJRHLQEGBHNIT-UHFFFAOYSA-N
XLogP2.38
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)acetyl]-N'-(4-methylbenzoyl)piperidine-4-carbohydrazide?
The IUPAC name of 1-[2-(3-fluorophenyl)acetyl]-N'-(4-methylbenzoyl)piperidine-4-carbohydrazide (CID 46256797) is 1-[2-(3-fluorophenyl)acetyl]-N'-(4-methylbenzoyl)piperidine-4-carbohydrazide.
What is the SMILES notation for 1-[2-(3-fluorophenyl)acetyl]-N'-(4-methylbenzoyl)piperidine-4-carbohydrazide?
The canonical SMILES for 1-[2-(3-fluorophenyl)acetyl]-N'-(4-methylbenzoyl)piperidine-4-carbohydrazide is Cc1ccc(C(=O)NNC(=O)C2CCN(C(=O)Cc3cccc(F)c3)CC2)cc1.
What is the InChIKey of 1-[2-(3-fluorophenyl)acetyl]-N'-(4-methylbenzoyl)piperidine-4-carbohydrazide?
The InChIKey is ZTJRHLQEGBHNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O3/c1-15-5-7-17(8-6-15)21(28)24-25-22(29)18-9-11-26(12-10-18)20(27)14-16-3-2-4-19(23)13-16/h2-8,13,18H,9-12,14H2,1H3,(H,24,28)(H,25,29).
What are the key properties of 1-[2-(3-fluorophenyl)acetyl]-N'-(4-methylbenzoyl)piperidine-4-carbohydrazide?
1-[2-(3-fluorophenyl)acetyl]-N'-(4-methylbenzoyl)piperidine-4-carbohydrazide has a molecular weight of 397.45 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)acetyl]-N'-(4-methylbenzoyl)piperidine-4-carbohydrazide is sourced from PubChem (CID 46256797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).