3-[bis(4-fluorophenyl)methyl]-N-phenylpiperidine-1-carboxamide

C25H24F2N2O — CID 166755800

IUPAC3-[bis(4-fluorophenyl)methyl]-N-phenylpiperidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCCC(C(c2ccc(F)cc2)c2ccc(F)cc2)C1
InChIInChI=1S/C25H24F2N2O/c26-21-12-8-18(9-13-21)24(19-10-14-22(27)15-11-19)20-5-4-16-29(17-20)25(30)28-23-6-2-1-3-7-23/h1-3,6-15,20,24H,4-5,16-17H2,(H,28,30)
InChIKeyNHLQRBSUNYMCCM-UHFFFAOYSA-N
MW406.48 g/mol
LogP6.04
Rot. Bonds4

About 3-[bis(4-fluorophenyl)methyl]-N-phenylpiperidine-1-carboxamide

3-[bis(4-fluorophenyl)methyl]-N-phenylpiperidine-1-carboxamide (PubChem CID 166755800) has the molecular formula C25H24F2N2O and a molecular weight of 406.48 g/mol. Its IUPAC name is 3-[bis(4-fluorophenyl)methyl]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-[bis(4-fluorophenyl)methyl]-N-phenylpiperidine-1-carboxamide
PubChem CID166755800
Molecular FormulaC25H24F2N2O
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name3-[bis(4-fluorophenyl)methyl]-N-phenylpiperidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCCC(C(c2ccc(F)cc2)c2ccc(F)cc2)C1
InChIInChI=1S/C25H24F2N2O/c26-21-12-8-18(9-13-21)24(19-10-14-22(27)15-11-19)20-5-4-16-29(17-20)25(30)28-23-6-2-1-3-7-23/h1-3,6-15,20,24H,4-5,16-17H2,(H,28,30)
InChIKeyNHLQRBSUNYMCCM-UHFFFAOYSA-N
XLogP6.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.48
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-[bis(4-fluorophenyl)methyl]-N-phenylpiperidine-1-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

(3S)-3-N-(4-fluorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9070375
(3S)-3-[[(4-fluorobenzoyl)amino]carbamoyl]-N-phenylpiperidine-1-carboxamide
CID 8870757
5-[(3S)-1-[(4-fluorophenyl)carbamoyl]piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 92879761
(3S)-3-[(1R)-1-hydroxyethyl]-N-(3-phenoxyphenyl)piperidine-1-carboxamide
CID 97238064
3-(cyclohexylamino)-N-phenylpiperidine-1-carboxamide
CID 83999198
(3R)-N-phenyl-3-(piperidine-1-carbonyl)piperidine-1-carboxamide
CID 8868811
(3S)-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 7333045
(3R)-3-N-benzyl-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 51686692
(3R)-3-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 31359319
(3S)-1-N-phenyl-3-N-[(1S)-1-(4-phenylphenyl)ethyl]piperidine-1,3-dicarboxamide
CID 41073570
(2R)-1-N-(4-fluorophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide
CID 1445832
2-N-(4-fluorophenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 43814809

Frequently Asked Questions

What is the IUPAC name of 3-[bis(4-fluorophenyl)methyl]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 3-[bis(4-fluorophenyl)methyl]-N-phenylpiperidine-1-carboxamide (CID 166755800) is 3-[bis(4-fluorophenyl)methyl]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 3-[bis(4-fluorophenyl)methyl]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 3-[bis(4-fluorophenyl)methyl]-N-phenylpiperidine-1-carboxamide is O=C(Nc1ccccc1)N1CCCC(C(c2ccc(F)cc2)c2ccc(F)cc2)C1.
What is the InChIKey of 3-[bis(4-fluorophenyl)methyl]-N-phenylpiperidine-1-carboxamide?
The InChIKey is NHLQRBSUNYMCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N2O/c26-21-12-8-18(9-13-21)24(19-10-14-22(27)15-11-19)20-5-4-16-29(17-20)25(30)28-23-6-2-1-3-7-23/h1-3,6-15,20,24H,4-5,16-17H2,(H,28,30).
What are the key properties of 3-[bis(4-fluorophenyl)methyl]-N-phenylpiperidine-1-carboxamide?
3-[bis(4-fluorophenyl)methyl]-N-phenylpiperidine-1-carboxamide has a molecular weight of 406.48 g/mol, XLogP of 6.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(4-fluorophenyl)methyl]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 166755800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).