(3R,5R)-1-N-butyl-5-(4-fluoro-3-methylphenyl)-3-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide

C25H32FN3O3 — CID 92997182

IUPAC(3R,5R)-1-N-butyl-5-(4-fluoro-3-methylphenyl)-3-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide
SMILESCCCCNC(=O)N1C[C@H](C(=O)Nc2ccc(OC)cc2)C[C@H](c2ccc(F)c(C)c2)C1
InChIInChI=1S/C25H32FN3O3/c1-4-5-12-27-25(31)29-15-19(18-6-11-23(26)17(2)13-18)14-20(16-29)24(30)28-21-7-9-22(32-3)10-8-21/h6-11,13,19-20H,4-5,12,14-16H2,1-3H3,(H,27,31)(H,28,30)/t19-,20+/m0/s1
InChIKeyUJZKTZPAQRBUCU-VQTJNVASSA-N
MW441.55 g/mol
LogP4.70
Rot. Bonds7

About (3R,5R)-1-N-butyl-5-(4-fluoro-3-methylphenyl)-3-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide

(3R,5R)-1-N-butyl-5-(4-fluoro-3-methylphenyl)-3-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide (PubChem CID 92997182) has the molecular formula C25H32FN3O3 and a molecular weight of 441.55 g/mol. Its IUPAC name is (3R,5R)-1-N-butyl-5-(4-fluoro-3-methylphenyl)-3-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R,5R)-1-N-butyl-5-(4-fluoro-3-methylphenyl)-3-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide
PubChem CID92997182
Molecular FormulaC25H32FN3O3
Molecular Weight441.55 g/mol
Exact Mass441.24
IUPAC Name(3R,5R)-1-N-butyl-5-(4-fluoro-3-methylphenyl)-3-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide
SMILESCCCCNC(=O)N1C[C@H](C(=O)Nc2ccc(OC)cc2)C[C@H](c2ccc(F)c(C)c2)C1
InChIInChI=1S/C25H32FN3O3/c1-4-5-12-27-25(31)29-15-19(18-6-11-23(26)17(2)13-18)14-20(16-29)24(30)28-21-7-9-22(32-3)10-8-21/h6-11,13,19-20H,4-5,12,14-16H2,1-3H3,(H,27,31)(H,28,30)/t19-,20+/m0/s1
InChIKeyUJZKTZPAQRBUCU-VQTJNVASSA-N
XLogP4.70
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3R,5R)-1-N-butyl-5-(4-fluoro-3-methylphenyl)-3-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide 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,5S)-1-N-butyl-5-(4-fluoro-3-methylphenyl)-3-N-[2-(2-methoxyphenyl)ethyl]piperidine-1,3-dicarboxamide
CID 93000799
5-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 42866558
(3S,5S)-5-(4-fluoro-3-methylphenyl)-3-N-[2-(4-methoxyphenyl)ethyl]-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 92996949
1-[(2-chlorophenyl)methyl]-5-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 46067702
1-N-ethyl-6-(4-fluoro-3-methylphenyl)-3-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 42866482
N-[2-(dimethylamino)ethyl]-5-(4-fluoro-3-methylphenyl)-1-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 42866616
1-N-butyl-5-(3,4-dimethoxyphenyl)-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
CID 42865453
(3R,5S)-1-N-benzyl-5-(4-fluoro-3-methylphenyl)-3-N-[2-(2-methoxyphenyl)ethyl]piperidine-1,3-dicarboxamide
CID 93001938
(3R,5S)-1-N-ethyl-5-(4-fluoro-3-methylphenyl)-3-N-[(3-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 92996923
1-(cyclopentanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 42866436
N-(2,4-dimethoxyphenyl)-5-(4-fluoro-3-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 42869899
1-acetyl-6-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 46067468

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-1-N-butyl-5-(4-fluoro-3-methylphenyl)-3-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide?
The IUPAC name of (3R,5R)-1-N-butyl-5-(4-fluoro-3-methylphenyl)-3-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide (CID 92997182) is (3R,5R)-1-N-butyl-5-(4-fluoro-3-methylphenyl)-3-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3R,5R)-1-N-butyl-5-(4-fluoro-3-methylphenyl)-3-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for (3R,5R)-1-N-butyl-5-(4-fluoro-3-methylphenyl)-3-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide is CCCCNC(=O)N1C[C@H](C(=O)Nc2ccc(OC)cc2)C[C@H](c2ccc(F)c(C)c2)C1.
What is the InChIKey of (3R,5R)-1-N-butyl-5-(4-fluoro-3-methylphenyl)-3-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide?
The InChIKey is UJZKTZPAQRBUCU-VQTJNVASSA-N. The full InChI is InChI=1S/C25H32FN3O3/c1-4-5-12-27-25(31)29-15-19(18-6-11-23(26)17(2)13-18)14-20(16-29)24(30)28-21-7-9-22(32-3)10-8-21/h6-11,13,19-20H,4-5,12,14-16H2,1-3H3,(H,27,31)(H,28,30)/t19-,20+/m0/s1.
What are the key properties of (3R,5R)-1-N-butyl-5-(4-fluoro-3-methylphenyl)-3-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide?
(3R,5R)-1-N-butyl-5-(4-fluoro-3-methylphenyl)-3-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide has a molecular weight of 441.55 g/mol, XLogP of 4.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-1-N-butyl-5-(4-fluoro-3-methylphenyl)-3-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 92997182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).