5-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide

C28H31FN2O3 — CID 42866558

IUPAC5-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
SMILESCOc1ccc(CN2CC(C(=O)Nc3ccc(OC)cc3)CC(c3ccc(F)c(C)c3)C2)cc1
InChIInChI=1S/C28H31FN2O3/c1-19-14-21(6-13-27(19)29)22-15-23(28(32)30-24-7-11-26(34-3)12-8-24)18-31(17-22)16-20-4-9-25(33-2)10-5-20/h4-14,22-23H,15-18H2,1-3H3,(H,30,32)
InChIKeyCHQGLGRLPFZOHO-UHFFFAOYSA-N
MW462.57 g/mol
LogP5.40
Rot. Bonds7

About 5-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide

5-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide (PubChem CID 42866558) has the molecular formula C28H31FN2O3 and a molecular weight of 462.57 g/mol. Its IUPAC name is 5-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
PubChem CID42866558
Molecular FormulaC28H31FN2O3
Molecular Weight462.57 g/mol
Exact Mass462.23
IUPAC Name5-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
SMILESCOc1ccc(CN2CC(C(=O)Nc3ccc(OC)cc3)CC(c3ccc(F)c(C)c3)C2)cc1
InChIInChI=1S/C28H31FN2O3/c1-19-14-21(6-13-27(19)29)22-15-23(28(32)30-24-7-11-26(34-3)12-8-24)18-31(17-22)16-20-4-9-25(33-2)10-5-20/h4-14,22-23H,15-18H2,1-3H3,(H,30,32)
InChIKeyCHQGLGRLPFZOHO-UHFFFAOYSA-N
XLogP5.40
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.57
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)-1-[(4-methoxyphenyl)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

1-[(2-chlorophenyl)methyl]-5-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 46067702
N-(2,4-dimethoxyphenyl)-5-(4-fluoro-3-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 42869899
N-[2-(dimethylamino)ethyl]-5-(4-fluoro-3-methylphenyl)-1-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 42866616
(3S,5S)-1-benzyl-N-(4-methoxyphenyl)-5-(3-methylphenyl)piperidine-3-carboxamide
CID 92996083
(3R,5R)-1-N-butyl-5-(4-fluoro-3-methylphenyl)-3-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 92997182
N-cyclopropyl-5-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 42866517
1-benzyl-5-(4-fluoro-3-methylphenyl)-N-(1-phenylethyl)piperidine-3-carboxamide
CID 42866536
5-(4-fluorophenyl)-N-(2-methoxyethyl)-1-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 42866511
1-acetyl-6-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 46067468
(3S,5S)-5-(4-fluoro-3-methylphenyl)-3-N-[2-(4-methoxyphenyl)ethyl]-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 92996949
1-(cyclopentanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 42866436
(4-benzylpiperazin-1-yl)-[(3S,5R)-5-(4-fluoro-3-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 92997366

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 5-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide (CID 42866558) is 5-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 5-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 5-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide is COc1ccc(CN2CC(C(=O)Nc3ccc(OC)cc3)CC(c3ccc(F)c(C)c3)C2)cc1.
What is the InChIKey of 5-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is CHQGLGRLPFZOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN2O3/c1-19-14-21(6-13-27(19)29)22-15-23(28(32)30-24-7-11-26(34-3)12-8-24)18-31(17-22)16-20-4-9-25(33-2)10-5-20/h4-14,22-23H,15-18H2,1-3H3,(H,30,32).
What are the key properties of 5-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide?
5-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 462.57 g/mol, XLogP of 5.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 42866558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).