1-[(3,4-dichlorophenyl)methyl]-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide

C21H24Cl2N2O3 — CID 43920044

IUPAC1-[(3,4-dichlorophenyl)methyl]-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2CCCN(Cc3ccc(Cl)c(Cl)c3)C2)c1
InChIInChI=1S/C21H24Cl2N2O3/c1-27-16-6-8-20(28-2)19(11-16)24-21(26)15-4-3-9-25(13-15)12-14-5-7-17(22)18(23)10-14/h5-8,10-11,15H,3-4,9,12-13H2,1-2H3,(H,24,26)
InChIKeyQJIBVMVWWCRWQO-UHFFFAOYSA-N
MW423.34 g/mol
LogP4.86
Rot. Bonds6

About 1-[(3,4-dichlorophenyl)methyl]-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide

1-[(3,4-dichlorophenyl)methyl]-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide (PubChem CID 43920044) has the molecular formula C21H24Cl2N2O3 and a molecular weight of 423.34 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide
PubChem CID43920044
Molecular FormulaC21H24Cl2N2O3
Molecular Weight423.34 g/mol
Exact Mass422.12
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2CCCN(Cc3ccc(Cl)c(Cl)c3)C2)c1
InChIInChI=1S/C21H24Cl2N2O3/c1-27-16-6-8-20(28-2)19(11-16)24-21(26)15-4-3-9-25(13-15)12-14-5-7-17(22)18(23)10-14/h5-8,10-11,15H,3-4,9,12-13H2,1-2H3,(H,24,26)
InChIKeyQJIBVMVWWCRWQO-UHFFFAOYSA-N
XLogP4.86
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.34
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(3,4-dichlorophenyl)methyl]-N-(2,5-dimethoxyphenyl)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

N-(2,5-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43920049
1-[(3-bromophenyl)methyl]-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide
CID 43920046
1-[(3,4-dichlorophenyl)methyl]-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 43921165
(3S)-1-[(2,6-dichlorophenyl)methyl]-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide
CID 93490793
1-[(4-bromophenyl)methyl]-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide
CID 43921527
(3S)-1-[(4-chlorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 92851241
(3R)-N-(5-chloro-2-methoxyphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 93491426
1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide
CID 43934524
1-[(3-chloro-4-hydroxyphenyl)methyl]-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide
CID 45184860
N-(2-methoxy-5-nitrophenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43923801
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide
CID 43934100
N-(2,5-dimethoxyphenyl)-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43931166

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide (CID 43920044) is 1-[(3,4-dichlorophenyl)methyl]-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide is COc1ccc(OC)c(NC(=O)C2CCCN(Cc3ccc(Cl)c(Cl)c3)C2)c1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide?
The InChIKey is QJIBVMVWWCRWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N2O3/c1-27-16-6-8-20(28-2)19(11-16)24-21(26)15-4-3-9-25(13-15)12-14-5-7-17(22)18(23)10-14/h5-8,10-11,15H,3-4,9,12-13H2,1-2H3,(H,24,26).
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide?
1-[(3,4-dichlorophenyl)methyl]-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide has a molecular weight of 423.34 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 43920044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).