piperazin-1-yl-[4-[2,4,6-tri(propan-2-yl)phenyl]sulfonylcyclohexyl]methanone

C26H42N2O3S — CID 130387628

IUPACpiperazin-1-yl-[4-[2,4,6-tri(propan-2-yl)phenyl]sulfonylcyclohexyl]methanone
SMILESCC(C)c1cc(C(C)C)c(S(=O)(=O)C2CCC(C(=O)N3CCNCC3)CC2)c(C(C)C)c1
InChIInChI=1S/C26H42N2O3S/c1-17(2)21-15-23(18(3)4)25(24(16-21)19(5)6)32(30,31)22-9-7-20(8-10-22)26(29)28-13-11-27-12-14-28/h15-20,22,27H,7-14H2,1-6H3
InChIKeyVJIQMWKPUHAOJT-UHFFFAOYSA-N
MW462.70 g/mol
LogP4.82
Rot. Bonds6

About piperazin-1-yl-[4-[2,4,6-tri(propan-2-yl)phenyl]sulfonylcyclohexyl]methanone

piperazin-1-yl-[4-[2,4,6-tri(propan-2-yl)phenyl]sulfonylcyclohexyl]methanone (PubChem CID 130387628) has the molecular formula C26H42N2O3S and a molecular weight of 462.70 g/mol. Its IUPAC name is piperazin-1-yl-[4-[2,4,6-tri(propan-2-yl)phenyl]sulfonylcyclohexyl]methanone.

Molecular Properties

Compound Namepiperazin-1-yl-[4-[2,4,6-tri(propan-2-yl)phenyl]sulfonylcyclohexyl]methanone
PubChem CID130387628
Molecular FormulaC26H42N2O3S
Molecular Weight462.70 g/mol
Exact Mass462.29
IUPAC Namepiperazin-1-yl-[4-[2,4,6-tri(propan-2-yl)phenyl]sulfonylcyclohexyl]methanone
SMILESCC(C)c1cc(C(C)C)c(S(=O)(=O)C2CCC(C(=O)N3CCNCC3)CC2)c(C(C)C)c1
InChIInChI=1S/C26H42N2O3S/c1-17(2)21-15-23(18(3)4)25(24(16-21)19(5)6)32(30,31)22-9-7-20(8-10-22)26(29)28-13-11-27-12-14-28/h15-20,22,27H,7-14H2,1-6H3
InChIKeyVJIQMWKPUHAOJT-UHFFFAOYSA-N
XLogP4.82
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.70
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze piperazin-1-yl-[4-[2,4,6-tri(propan-2-yl)phenyl]sulfonylcyclohexyl]methanone 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

tert-butyl 4-[4-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpiperidine-1-carbonyl]piperidine-1-carboxylate
CID 130387635
piperidin-4-yl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 119266637
(4-methylcyclohexyl)-piperazin-1-ylmethanone
CID 22229215
4-methylsulfonyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpiperidine
CID 90586582
cyclopropyl(1,4-diazepan-1-yl)methanone
CID 16775568
piperidin-4-yl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103797757
cyclopropyl-[4-(2-methyl-5-propan-2-ylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone
CID 110797149
4-(cyclopropanecarbonyl)piperazine-1-carboxylic acid;cyclopropyl(piperazin-1-yl)methanone
CID 175756843
(4-ethylcyclohexyl)-piperazin-1-ylmethanone
CID 118883051
ethane;(4-methylpiperazin-1-yl)-piperidin-4-ylmethanone
CID 176554643
[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-piperidin-4-ylmethanone
CID 129371132
(4-phenylcyclohexyl)-piperazin-1-ylmethanone
CID 119401928

Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl-[4-[2,4,6-tri(propan-2-yl)phenyl]sulfonylcyclohexyl]methanone?
The IUPAC name of piperazin-1-yl-[4-[2,4,6-tri(propan-2-yl)phenyl]sulfonylcyclohexyl]methanone (CID 130387628) is piperazin-1-yl-[4-[2,4,6-tri(propan-2-yl)phenyl]sulfonylcyclohexyl]methanone.
What is the SMILES notation for piperazin-1-yl-[4-[2,4,6-tri(propan-2-yl)phenyl]sulfonylcyclohexyl]methanone?
The canonical SMILES for piperazin-1-yl-[4-[2,4,6-tri(propan-2-yl)phenyl]sulfonylcyclohexyl]methanone is CC(C)c1cc(C(C)C)c(S(=O)(=O)C2CCC(C(=O)N3CCNCC3)CC2)c(C(C)C)c1.
What is the InChIKey of piperazin-1-yl-[4-[2,4,6-tri(propan-2-yl)phenyl]sulfonylcyclohexyl]methanone?
The InChIKey is VJIQMWKPUHAOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42N2O3S/c1-17(2)21-15-23(18(3)4)25(24(16-21)19(5)6)32(30,31)22-9-7-20(8-10-22)26(29)28-13-11-27-12-14-28/h15-20,22,27H,7-14H2,1-6H3.
What are the key properties of piperazin-1-yl-[4-[2,4,6-tri(propan-2-yl)phenyl]sulfonylcyclohexyl]methanone?
piperazin-1-yl-[4-[2,4,6-tri(propan-2-yl)phenyl]sulfonylcyclohexyl]methanone has a molecular weight of 462.70 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl-[4-[2,4,6-tri(propan-2-yl)phenyl]sulfonylcyclohexyl]methanone is sourced from PubChem (CID 130387628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).