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'}

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Related Compounds

N-[4-(4-benzylpiperazin-1-yl)phenyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 55537878
1-benzyl-4-(4-fluorophenyl)piperidin-4-ol;hydrochloride
CID 71627119
1-benzyl-N-(1-fluoropropan-2-yl)-4-phenylpiperidine-4-carboxamide
CID 166370243
4-anilino-1-[(4-fluorophenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 155874133
1-benzyl-4-(4-chlorophenyl)piperidine-4-carbonyl chloride
CID 87592673
1-(4-fluorophenyl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropane-1-carboxamide
CID 30806810
2-(4-fluorophenyl)-N'-phenylacetohydrazide
CID 78774551
2-(4-benzylpiperazin-1-yl)-N-(4-fluorophenyl)acetamide
CID 847262
1-benzyl-4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylpiperidine-4-carboxamide
CID 58861860
2-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-1-phenylethanone;hydrochloride
CID 67119848
1-[4-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]phenyl]cyclopropane-1-carboxylic acid
CID 18423009
2-(4-acetyl-4-phenylpiperidin-1-yl)-N-(4-fluorophenyl)acetamide
CID 42859146

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).