N-[1-(3,4-dichlorophenyl)ethyl]-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide

C22H22Cl2F2N2O3 — CID 55640113

IUPACN-[1-(3,4-dichlorophenyl)ethyl]-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide
SMILESCC(NC(=O)C1CCCN(C(=O)c2ccccc2OC(F)F)C1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H22Cl2F2N2O3/c1-13(14-8-9-17(23)18(24)11-14)27-20(29)15-5-4-10-28(12-15)21(30)16-6-2-3-7-19(16)31-22(25)26/h2-3,6-9,11,13,15,22H,4-5,10,12H2,1H3,(H,27,29)
InChIKeyGTXDWNZFNWHYNO-UHFFFAOYSA-N
MW471.33 g/mol
LogP5.32
Rot. Bonds6

About N-[1-(3,4-dichlorophenyl)ethyl]-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide

N-[1-(3,4-dichlorophenyl)ethyl]-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide (PubChem CID 55640113) has the molecular formula C22H22Cl2F2N2O3 and a molecular weight of 471.33 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)ethyl]-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)ethyl]-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide
PubChem CID55640113
Molecular FormulaC22H22Cl2F2N2O3
Molecular Weight471.33 g/mol
Exact Mass470.10
IUPAC NameN-[1-(3,4-dichlorophenyl)ethyl]-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide
SMILESCC(NC(=O)C1CCCN(C(=O)c2ccccc2OC(F)F)C1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H22Cl2F2N2O3/c1-13(14-8-9-17(23)18(24)11-14)27-20(29)15-5-4-10-28(12-15)21(30)16-6-2-3-7-19(16)31-22(25)26/h2-3,6-9,11,13,15,22H,4-5,10,12H2,1H3,(H,27,29)
InChIKeyGTXDWNZFNWHYNO-UHFFFAOYSA-N
XLogP5.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.33
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(3,4-dichlorophenyl)ethyl]-1-[2-(difluoromethoxy)benzoyl]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-(difluoromethoxy)benzoyl]-N-methoxypiperidine-3-carboxamide
CID 46416186
1-[2-(difluoromethoxy)benzoyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 42958498
N-(2-amino-2-methylpropyl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide;hydrochloride
CID 119626021
1-[2-(difluoromethoxy)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 55637901
1-[2-(difluoromethoxy)benzoyl]-N-(2-methoxy-2-phenylethyl)piperidine-3-carboxamide
CID 60543823
N-(3-aminopropyl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide
CID 119405060
1-[2-(difluoromethoxy)benzoyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
CID 56557781
1-[2-(difluoromethoxy)benzoyl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 55640170
1-[2-(difluoromethoxy)benzoyl]-N-[4-[(2-methoxyacetyl)amino]phenyl]piperidine-3-carboxamide
CID 55637973
N-(1,3-benzothiazol-2-yl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide
CID 46416335
1-[2-(difluoromethoxy)benzoyl]-N-[2-(3,5-difluorophenyl)ethyl]piperidine-3-carboxamide
CID 60610187
1-[2-(difluoromethoxy)benzoyl]-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide
CID 60611629

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)ethyl]-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide?
The IUPAC name of N-[1-(3,4-dichlorophenyl)ethyl]-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide (CID 55640113) is N-[1-(3,4-dichlorophenyl)ethyl]-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)ethyl]-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)ethyl]-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide is CC(NC(=O)C1CCCN(C(=O)c2ccccc2OC(F)F)C1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)ethyl]-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide?
The InChIKey is GTXDWNZFNWHYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2F2N2O3/c1-13(14-8-9-17(23)18(24)11-14)27-20(29)15-5-4-10-28(12-15)21(30)16-6-2-3-7-19(16)31-22(25)26/h2-3,6-9,11,13,15,22H,4-5,10,12H2,1H3,(H,27,29).
What are the key properties of N-[1-(3,4-dichlorophenyl)ethyl]-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide?
N-[1-(3,4-dichlorophenyl)ethyl]-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide has a molecular weight of 471.33 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorophenyl)ethyl]-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide is sourced from PubChem (CID 55640113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).