4-(4-fluorophenyl)-1-[[4-(4-fluorophenyl)phenyl]methyl]-N'-phenylpiperidine-4-carbohydrazide

C31H29F2N3O — CID 90830849

IUPAC4-(4-fluorophenyl)-1-[[4-(4-fluorophenyl)phenyl]methyl]-N'-phenylpiperidine-4-carbohydrazide
SMILESO=C(NNc1ccccc1)C1(c2ccc(F)cc2)CCN(Cc2ccc(-c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C31H29F2N3O/c32-27-14-10-25(11-15-27)24-8-6-23(7-9-24)22-36-20-18-31(19-21-36,26-12-16-28(33)17-13-26)30(37)35-34-29-4-2-1-3-5-29/h1-17,34H,18-22H2,(H,35,37)
InChIKeyGBKIOCFVBRQECB-UHFFFAOYSA-N
MW497.59 g/mol
LogP6.31
Rot. Bonds7

About 4-(4-fluorophenyl)-1-[[4-(4-fluorophenyl)phenyl]methyl]-N'-phenylpiperidine-4-carbohydrazide

4-(4-fluorophenyl)-1-[[4-(4-fluorophenyl)phenyl]methyl]-N'-phenylpiperidine-4-carbohydrazide (PubChem CID 90830849) has the molecular formula C31H29F2N3O and a molecular weight of 497.59 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-[[4-(4-fluorophenyl)phenyl]methyl]-N'-phenylpiperidine-4-carbohydrazide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-[[4-(4-fluorophenyl)phenyl]methyl]-N'-phenylpiperidine-4-carbohydrazide
PubChem CID90830849
Molecular FormulaC31H29F2N3O
Molecular Weight497.59 g/mol
Exact Mass497.23
IUPAC Name4-(4-fluorophenyl)-1-[[4-(4-fluorophenyl)phenyl]methyl]-N'-phenylpiperidine-4-carbohydrazide
SMILESO=C(NNc1ccccc1)C1(c2ccc(F)cc2)CCN(Cc2ccc(-c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C31H29F2N3O/c32-27-14-10-25(11-15-27)24-8-6-23(7-9-24)22-36-20-18-31(19-21-36,26-12-16-28(33)17-13-26)30(37)35-34-29-4-2-1-3-5-29/h1-17,34H,18-22H2,(H,35,37)
InChIKeyGBKIOCFVBRQECB-UHFFFAOYSA-N
XLogP6.31
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.59
LogP ≤ 56.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(4-fluorophenyl)-1-[[4-(4-fluorophenyl)phenyl]methyl]-N'-phenylpiperidine-4-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-[[4-(4-fluorophenyl)phenyl]methyl]-N'-phenylpiperidine-4-carbohydrazide?
The IUPAC name of 4-(4-fluorophenyl)-1-[[4-(4-fluorophenyl)phenyl]methyl]-N'-phenylpiperidine-4-carbohydrazide (CID 90830849) is 4-(4-fluorophenyl)-1-[[4-(4-fluorophenyl)phenyl]methyl]-N'-phenylpiperidine-4-carbohydrazide.
What is the SMILES notation for 4-(4-fluorophenyl)-1-[[4-(4-fluorophenyl)phenyl]methyl]-N'-phenylpiperidine-4-carbohydrazide?
The canonical SMILES for 4-(4-fluorophenyl)-1-[[4-(4-fluorophenyl)phenyl]methyl]-N'-phenylpiperidine-4-carbohydrazide is O=C(NNc1ccccc1)C1(c2ccc(F)cc2)CCN(Cc2ccc(-c3ccc(F)cc3)cc2)CC1.
What is the InChIKey of 4-(4-fluorophenyl)-1-[[4-(4-fluorophenyl)phenyl]methyl]-N'-phenylpiperidine-4-carbohydrazide?
The InChIKey is GBKIOCFVBRQECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29F2N3O/c32-27-14-10-25(11-15-27)24-8-6-23(7-9-24)22-36-20-18-31(19-21-36,26-12-16-28(33)17-13-26)30(37)35-34-29-4-2-1-3-5-29/h1-17,34H,18-22H2,(H,35,37).
What are the key properties of 4-(4-fluorophenyl)-1-[[4-(4-fluorophenyl)phenyl]methyl]-N'-phenylpiperidine-4-carbohydrazide?
4-(4-fluorophenyl)-1-[[4-(4-fluorophenyl)phenyl]methyl]-N'-phenylpiperidine-4-carbohydrazide has a molecular weight of 497.59 g/mol, XLogP of 6.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-[[4-(4-fluorophenyl)phenyl]methyl]-N'-phenylpiperidine-4-carbohydrazide is sourced from PubChem (CID 90830849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).