1-[[3-(2,4-difluorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide

C26H25F3N2O — CID 134801935

IUPAC1-[[3-(2,4-difluorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CCCN(Cc2cccc(-c3ccc(F)cc3F)c2)C1
InChIInChI=1S/C26H25F3N2O/c27-22-8-6-18(7-9-22)15-30-26(32)21-5-2-12-31(17-21)16-19-3-1-4-20(13-19)24-11-10-23(28)14-25(24)29/h1,3-4,6-11,13-14,21H,2,5,12,15-17H2,(H,30,32)
InChIKeyUUZGLSBMUJTWHF-UHFFFAOYSA-N
MW438.49 g/mol
LogP5.30
Rot. Bonds6

About 1-[[3-(2,4-difluorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide

1-[[3-(2,4-difluorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 134801935) has the molecular formula C26H25F3N2O and a molecular weight of 438.49 g/mol. Its IUPAC name is 1-[[3-(2,4-difluorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[3-(2,4-difluorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
PubChem CID134801935
Molecular FormulaC26H25F3N2O
Molecular Weight438.49 g/mol
Exact Mass438.19
IUPAC Name1-[[3-(2,4-difluorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CCCN(Cc2cccc(-c3ccc(F)cc3F)c2)C1
InChIInChI=1S/C26H25F3N2O/c27-22-8-6-18(7-9-22)15-30-26(32)21-5-2-12-31(17-21)16-19-3-1-4-20(13-19)24-11-10-23(28)14-25(24)29/h1,3-4,6-11,13-14,21H,2,5,12,15-17H2,(H,30,32)
InChIKeyUUZGLSBMUJTWHF-UHFFFAOYSA-N
XLogP5.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.49
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[[3-(2,4-difluorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]piperidine-3-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

(3R)-1-[(4-fluorophenyl)methyl]-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 94022035
(3S)-1-[(4-fluorophenyl)methyl]-N-[(4-piperidin-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 94021500
N-[(3,4-difluorophenyl)methyl]-1-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 134795997
N,1-dibenzylpiperidine-3-carboxamide
CID 43918745
1-[(4-fluorophenyl)methyl]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 133204271
(3R)-1-[(3-fluorophenyl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 94819145
N-[(3-chlorophenyl)methyl]-1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidine-3-carboxamide
CID 134796270
(3S)-1-[(3-fluorophenyl)methyl]-N-propylpiperidine-3-carboxamide
CID 95138806
N-(2,4-difluorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43923132
N-[[4-(diethylamino)phenyl]methyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 133210494
N-[(4-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 46774647
4-[[[(3R)-1-benzylpiperidine-3-carbonyl]amino]methyl]benzoic acid
CID 124703905

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2,4-difluorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[[3-(2,4-difluorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide (CID 134801935) is 1-[[3-(2,4-difluorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[[3-(2,4-difluorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[[3-(2,4-difluorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide is O=C(NCc1ccc(F)cc1)C1CCCN(Cc2cccc(-c3ccc(F)cc3F)c2)C1.
What is the InChIKey of 1-[[3-(2,4-difluorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is UUZGLSBMUJTWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N2O/c27-22-8-6-18(7-9-22)15-30-26(32)21-5-2-12-31(17-21)16-19-3-1-4-20(13-19)24-11-10-23(28)14-25(24)29/h1,3-4,6-11,13-14,21H,2,5,12,15-17H2,(H,30,32).
What are the key properties of 1-[[3-(2,4-difluorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?
1-[[3-(2,4-difluorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 438.49 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2,4-difluorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 134801935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).