N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide

C26H39N3O4S — CID 55690874

IUPACN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc(C(=O)NC3CCN(C(=O)C4CCCCC4)CC3)cc2)C1
InChIInChI=1S/C26H39N3O4S/c1-19-16-20(2)18-29(17-19)34(32,33)24-10-8-21(9-11-24)25(30)27-23-12-14-28(15-13-23)26(31)22-6-4-3-5-7-22/h8-11,19-20,22-23H,3-7,12-18H2,1-2H3,(H,27,30)
InChIKeyIRYJZGMBPDHHPZ-UHFFFAOYSA-N
MW489.68 g/mol
LogP3.65
Rot. Bonds5

About N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide

N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 55690874) has the molecular formula C26H39N3O4S and a molecular weight of 489.68 g/mol. Its IUPAC name is N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
PubChem CID55690874
Molecular FormulaC26H39N3O4S
Molecular Weight489.68 g/mol
Exact Mass489.27
IUPAC NameN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc(C(=O)NC3CCN(C(=O)C4CCCCC4)CC3)cc2)C1
InChIInChI=1S/C26H39N3O4S/c1-19-16-20(2)18-29(17-19)34(32,33)24-10-8-21(9-11-24)25(30)27-23-12-14-28(15-13-23)26(31)22-6-4-3-5-7-22/h8-11,19-20,22-23H,3-7,12-18H2,1-2H3,(H,27,30)
InChIKeyIRYJZGMBPDHHPZ-UHFFFAOYSA-N
XLogP3.65
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.68
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide 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

4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]benzamide
CID 56568108
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 46454888
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-piperidin-3-ylbenzamide
CID 119428774
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-[methoxy(methyl)sulfamoyl]benzamide
CID 46463867
N-[1-[1-(benzenesulfonyl)piperidine-3-carbonyl]piperidin-4-yl]-4-fluorobenzamide
CID 46431291
N-cyclohexyl-4-(4-ethylpiperazin-1-yl)sulfonylbenzamide
CID 109059487
1-cyclopentyl-3-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]thiourea
CID 27521970
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-(cyclopropylsulfamoyl)benzamide
CID 46540127
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-methylpiperidin-3-yl)benzamide
CID 120577350
N-cycloheptyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-fluorobenzamide
CID 4621990
N-cyclopropyl-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 51158808
N-(1-ethylpiperidin-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9091107

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide (CID 55690874) is N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide is CC1CC(C)CN(S(=O)(=O)c2ccc(C(=O)NC3CCN(C(=O)C4CCCCC4)CC3)cc2)C1.
What is the InChIKey of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is IRYJZGMBPDHHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N3O4S/c1-19-16-20(2)18-29(17-19)34(32,33)24-10-8-21(9-11-24)25(30)27-23-12-14-28(15-13-23)26(31)22-6-4-3-5-7-22/h8-11,19-20,22-23H,3-7,12-18H2,1-2H3,(H,27,30).
What are the key properties of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide?
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 489.68 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 55690874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).