N-(2,4-dimethylphenyl)-1-[[1-[(3-fluorophenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide

C30H32FN3O — CID 50807608

IUPACN-(2,4-dimethylphenyl)-1-[[1-[(3-fluorophenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(Cc3cc4ccccc4n3Cc3cccc(F)c3)CC2)c(C)c1
InChIInChI=1S/C30H32FN3O/c1-21-10-11-28(22(2)16-21)32-30(35)24-12-14-33(15-13-24)20-27-18-25-7-3-4-9-29(25)34(27)19-23-6-5-8-26(31)17-23/h3-11,16-18,24H,12-15,19-20H2,1-2H3,(H,32,35)
InChIKeyNZPSCNCFLNERIA-UHFFFAOYSA-N
MW469.60 g/mol
LogP6.30
Rot. Bonds6

About N-(2,4-dimethylphenyl)-1-[[1-[(3-fluorophenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide

N-(2,4-dimethylphenyl)-1-[[1-[(3-fluorophenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide (PubChem CID 50807608) has the molecular formula C30H32FN3O and a molecular weight of 469.60 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-1-[[1-[(3-fluorophenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-1-[[1-[(3-fluorophenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
PubChem CID50807608
Molecular FormulaC30H32FN3O
Molecular Weight469.60 g/mol
Exact Mass469.25
IUPAC NameN-(2,4-dimethylphenyl)-1-[[1-[(3-fluorophenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(Cc3cc4ccccc4n3Cc3cccc(F)c3)CC2)c(C)c1
InChIInChI=1S/C30H32FN3O/c1-21-10-11-28(22(2)16-21)32-30(35)24-12-14-33(15-13-24)20-27-18-25-7-3-4-9-29(25)34(27)19-23-6-5-8-26(31)17-23/h3-11,16-18,24H,12-15,19-20H2,1-2H3,(H,32,35)
InChIKeyNZPSCNCFLNERIA-UHFFFAOYSA-N
XLogP6.30
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.60
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,4-dimethylphenyl)-1-[[1-[(3-fluorophenyl)methyl]indol-2-yl]methyl]piperidine-4-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

1-[[1-[(3-fluorophenyl)methyl]indol-2-yl]methyl]-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 50807728
1-[[1-[(3-fluorophenyl)methyl]indol-2-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
CID 50807560
1-[[1-[(3-fluorophenyl)methyl]indol-2-yl]methyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
CID 50807561
N-butyl-1-[[1-[(3-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 50807674
N-benzyl-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 22585883
N-[(3-chlorophenyl)methyl]-1-[[1-[(3-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 50807625
N-(2,4-dimethylphenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45008142
1-[[1-[(3-methylphenyl)methyl]indol-2-yl]methyl]-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide
CID 50807695
N-[(2-fluorophenyl)methyl]-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 22585914
N-[[4-(dimethylamino)phenyl]methyl]-1-[[1-[(3-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 50807745
N-[(4-chlorophenyl)methyl]-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 22585885
N-[(4-fluorophenyl)methyl]-1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 50807882

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-1-[[1-[(3-fluorophenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-1-[[1-[(3-fluorophenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide (CID 50807608) is N-(2,4-dimethylphenyl)-1-[[1-[(3-fluorophenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-1-[[1-[(3-fluorophenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-1-[[1-[(3-fluorophenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(Cc3cc4ccccc4n3Cc3cccc(F)c3)CC2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-1-[[1-[(3-fluorophenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide?
The InChIKey is NZPSCNCFLNERIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32FN3O/c1-21-10-11-28(22(2)16-21)32-30(35)24-12-14-33(15-13-24)20-27-18-25-7-3-4-9-29(25)34(27)19-23-6-5-8-26(31)17-23/h3-11,16-18,24H,12-15,19-20H2,1-2H3,(H,32,35).
What are the key properties of N-(2,4-dimethylphenyl)-1-[[1-[(3-fluorophenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide?
N-(2,4-dimethylphenyl)-1-[[1-[(3-fluorophenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide has a molecular weight of 469.60 g/mol, XLogP of 6.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-1-[[1-[(3-fluorophenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 50807608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).