N-[3-[4-(3,4-dichlorobenzoyl)piperidine-1-carbonyl]phenyl]cyclohexanecarboxamide

C26H28Cl2N2O3 — CID 55955366

IUPACN-[3-[4-(3,4-dichlorobenzoyl)piperidine-1-carbonyl]phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCC(C(=O)c3ccc(Cl)c(Cl)c3)CC2)c1)C1CCCCC1
InChIInChI=1S/C26H28Cl2N2O3/c27-22-10-9-19(16-23(22)28)24(31)17-11-13-30(14-12-17)26(33)20-7-4-8-21(15-20)29-25(32)18-5-2-1-3-6-18/h4,7-10,15-18H,1-3,5-6,11-14H2,(H,29,32)
InChIKeyPHBQTRWCSXXTJK-UHFFFAOYSA-N
MW487.43 g/mol
LogP6.25
Rot. Bonds5

About N-[3-[4-(3,4-dichlorobenzoyl)piperidine-1-carbonyl]phenyl]cyclohexanecarboxamide

N-[3-[4-(3,4-dichlorobenzoyl)piperidine-1-carbonyl]phenyl]cyclohexanecarboxamide (PubChem CID 55955366) has the molecular formula C26H28Cl2N2O3 and a molecular weight of 487.43 g/mol. Its IUPAC name is N-[3-[4-(3,4-dichlorobenzoyl)piperidine-1-carbonyl]phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-[4-(3,4-dichlorobenzoyl)piperidine-1-carbonyl]phenyl]cyclohexanecarboxamide
PubChem CID55955366
Molecular FormulaC26H28Cl2N2O3
Molecular Weight487.43 g/mol
Exact Mass486.15
IUPAC NameN-[3-[4-(3,4-dichlorobenzoyl)piperidine-1-carbonyl]phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCC(C(=O)c3ccc(Cl)c(Cl)c3)CC2)c1)C1CCCCC1
InChIInChI=1S/C26H28Cl2N2O3/c27-22-10-9-19(16-23(22)28)24(31)17-11-13-30(14-12-17)26(33)20-7-4-8-21(15-20)29-25(32)18-5-2-1-3-6-18/h4,7-10,15-18H,1-3,5-6,11-14H2,(H,29,32)
InChIKeyPHBQTRWCSXXTJK-UHFFFAOYSA-N
XLogP6.25
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.43
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-[4-(3,4-dichlorobenzoyl)piperidine-1-carbonyl]phenyl]cyclohexanecarboxamide 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-(3,4-dichlorobenzoyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 113008225
N-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 31611202
N-[3-[4-(5-chloropyrimidin-4-yl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide
CID 100610600
3-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119219598
1-[3-(cyclohexanecarbonylamino)benzoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 33342519
N-[3-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide
CID 55649623
cyclohexyl-(3,4-dichlorophenyl)methanone
CID 11601310
cycloheptyl-(3,4-dichlorophenyl)methanone
CID 63490974
1-[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 55633097
N-[3-(pyrrolidine-1-carbonyl)phenyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 112506999
1-(cyclohexanecarbonyl)-N-[4-[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]phenyl]piperidine-4-carboxamide
CID 44825551
methyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-4-carboxylate
CID 51153861

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3,4-dichlorobenzoyl)piperidine-1-carbonyl]phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-[4-(3,4-dichlorobenzoyl)piperidine-1-carbonyl]phenyl]cyclohexanecarboxamide (CID 55955366) is N-[3-[4-(3,4-dichlorobenzoyl)piperidine-1-carbonyl]phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-[4-(3,4-dichlorobenzoyl)piperidine-1-carbonyl]phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-[4-(3,4-dichlorobenzoyl)piperidine-1-carbonyl]phenyl]cyclohexanecarboxamide is O=C(Nc1cccc(C(=O)N2CCC(C(=O)c3ccc(Cl)c(Cl)c3)CC2)c1)C1CCCCC1.
What is the InChIKey of N-[3-[4-(3,4-dichlorobenzoyl)piperidine-1-carbonyl]phenyl]cyclohexanecarboxamide?
The InChIKey is PHBQTRWCSXXTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28Cl2N2O3/c27-22-10-9-19(16-23(22)28)24(31)17-11-13-30(14-12-17)26(33)20-7-4-8-21(15-20)29-25(32)18-5-2-1-3-6-18/h4,7-10,15-18H,1-3,5-6,11-14H2,(H,29,32).
What are the key properties of N-[3-[4-(3,4-dichlorobenzoyl)piperidine-1-carbonyl]phenyl]cyclohexanecarboxamide?
N-[3-[4-(3,4-dichlorobenzoyl)piperidine-1-carbonyl]phenyl]cyclohexanecarboxamide has a molecular weight of 487.43 g/mol, XLogP of 6.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3,4-dichlorobenzoyl)piperidine-1-carbonyl]phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 55955366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).