N-[(2,4-difluorophenyl)methyl]-1-[3-(4-methoxyphenyl)propanoyl]-4-methylpiperidine-4-carboxamide

C24H28F2N2O3 — CID 52999174

IUPACN-[(2,4-difluorophenyl)methyl]-1-[3-(4-methoxyphenyl)propanoyl]-4-methylpiperidine-4-carboxamide
SMILESCOc1ccc(CCC(=O)N2CCC(C)(C(=O)NCc3ccc(F)cc3F)CC2)cc1
InChIInChI=1S/C24H28F2N2O3/c1-24(23(30)27-16-18-6-7-19(25)15-21(18)26)11-13-28(14-12-24)22(29)10-5-17-3-8-20(31-2)9-4-17/h3-4,6-9,15H,5,10-14,16H2,1-2H3,(H,27,30)
InChIKeyWFWUAVPVMYRDKD-UHFFFAOYSA-N
MW430.50 g/mol
LogP3.85
Rot. Bonds7

About N-[(2,4-difluorophenyl)methyl]-1-[3-(4-methoxyphenyl)propanoyl]-4-methylpiperidine-4-carboxamide

N-[(2,4-difluorophenyl)methyl]-1-[3-(4-methoxyphenyl)propanoyl]-4-methylpiperidine-4-carboxamide (PubChem CID 52999174) has the molecular formula C24H28F2N2O3 and a molecular weight of 430.50 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-1-[3-(4-methoxyphenyl)propanoyl]-4-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-1-[3-(4-methoxyphenyl)propanoyl]-4-methylpiperidine-4-carboxamide
PubChem CID52999174
Molecular FormulaC24H28F2N2O3
Molecular Weight430.50 g/mol
Exact Mass430.21
IUPAC NameN-[(2,4-difluorophenyl)methyl]-1-[3-(4-methoxyphenyl)propanoyl]-4-methylpiperidine-4-carboxamide
SMILESCOc1ccc(CCC(=O)N2CCC(C)(C(=O)NCc3ccc(F)cc3F)CC2)cc1
InChIInChI=1S/C24H28F2N2O3/c1-24(23(30)27-16-18-6-7-19(25)15-21(18)26)11-13-28(14-12-24)22(29)10-5-17-3-8-20(31-2)9-4-17/h3-4,6-9,15H,5,10-14,16H2,1-2H3,(H,27,30)
InChIKeyWFWUAVPVMYRDKD-UHFFFAOYSA-N
XLogP3.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2,4-difluorophenyl)methyl]-1-[3-(4-methoxyphenyl)propanoyl]-4-methylpiperidine-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

N-[(2,4-difluorophenyl)methyl]-1-[2-(4-methoxyphenyl)acetyl]-4-methylpiperidine-4-carboxamide
CID 52999173
N-[(2,4-difluorophenyl)methyl]-1-(2-fluorobenzoyl)-4-methylpiperidine-4-carboxamide
CID 52999171
N-[(4-fluorophenyl)methyl]-1-(4-methoxybenzoyl)-4-methylpiperidine-4-carboxamide
CID 52999128
1-(4-fluorobenzoyl)-N-[(4-methoxyphenyl)methyl]-4-methylpiperidine-4-carboxamide
CID 52999112
N-[(2,4-difluorophenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 110782201
1-(4-tert-butylbenzoyl)-N-[(2,4-difluorophenyl)methyl]-4-methylpiperidine-4-carboxamide
CID 52999168
1-N-(4-fluorophenyl)-4-N-[(4-methoxyphenyl)methyl]-4-methylpiperidine-1,4-dicarboxamide
CID 53070839
1-[3-(4-fluorophenyl)propanoyl]-4-methylpiperidine-4-carboxylic acid
CID 63123576
methyl (3R)-1-[3-(4-fluorophenyl)propanoyl]-3-methylpyrrolidine-3-carboxylate
CID 97022319
3-(4-fluorophenyl)-1-[4-[2-(4-methoxyphenyl)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 110611368
(3R)-1-[3-(4-methoxyphenyl)propanoyl]-3-methyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 95087535
N-[(3-methoxyphenyl)methyl]-1-[3-(4-methoxyphenyl)propanoyl]-3-methylpiperidine-3-carboxamide
CID 53117074

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-[3-(4-methoxyphenyl)propanoyl]-4-methylpiperidine-4-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-[3-(4-methoxyphenyl)propanoyl]-4-methylpiperidine-4-carboxamide (CID 52999174) is N-[(2,4-difluorophenyl)methyl]-1-[3-(4-methoxyphenyl)propanoyl]-4-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-1-[3-(4-methoxyphenyl)propanoyl]-4-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-1-[3-(4-methoxyphenyl)propanoyl]-4-methylpiperidine-4-carboxamide is COc1ccc(CCC(=O)N2CCC(C)(C(=O)NCc3ccc(F)cc3F)CC2)cc1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-1-[3-(4-methoxyphenyl)propanoyl]-4-methylpiperidine-4-carboxamide?
The InChIKey is WFWUAVPVMYRDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2N2O3/c1-24(23(30)27-16-18-6-7-19(25)15-21(18)26)11-13-28(14-12-24)22(29)10-5-17-3-8-20(31-2)9-4-17/h3-4,6-9,15H,5,10-14,16H2,1-2H3,(H,27,30).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-1-[3-(4-methoxyphenyl)propanoyl]-4-methylpiperidine-4-carboxamide?
N-[(2,4-difluorophenyl)methyl]-1-[3-(4-methoxyphenyl)propanoyl]-4-methylpiperidine-4-carboxamide has a molecular weight of 430.50 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-1-[3-(4-methoxyphenyl)propanoyl]-4-methylpiperidine-4-carboxamide is sourced from PubChem (CID 52999174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).