6-(1-benzylpiperidin-4-yl)-3-benzylsulfonyl-3,6-diazabicyclo[3.2.0]heptane

C24H31N3O2S — CID 134076379

IUPAC6-(1-benzylpiperidin-4-yl)-3-benzylsulfonyl-3,6-diazabicyclo[3.2.0]heptane
SMILESO=S(=O)(Cc1ccccc1)N1CC2CN(C3CCN(Cc4ccccc4)CC3)C2C1
InChIInChI=1S/C24H31N3O2S/c28-30(29,19-21-9-5-2-6-10-21)26-16-22-17-27(24(22)18-26)23-11-13-25(14-12-23)15-20-7-3-1-4-8-20/h1-10,22-24H,11-19H2
InChIKeyLSCPCIOTJYJMDP-UHFFFAOYSA-N
MW425.60 g/mol
LogP2.80
Rot. Bonds6

About 6-(1-benzylpiperidin-4-yl)-3-benzylsulfonyl-3,6-diazabicyclo[3.2.0]heptane

6-(1-benzylpiperidin-4-yl)-3-benzylsulfonyl-3,6-diazabicyclo[3.2.0]heptane (PubChem CID 134076379) has the molecular formula C24H31N3O2S and a molecular weight of 425.60 g/mol. Its IUPAC name is 6-(1-benzylpiperidin-4-yl)-3-benzylsulfonyl-3,6-diazabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name6-(1-benzylpiperidin-4-yl)-3-benzylsulfonyl-3,6-diazabicyclo[3.2.0]heptane
PubChem CID134076379
Molecular FormulaC24H31N3O2S
Molecular Weight425.60 g/mol
Exact Mass425.21
IUPAC Name6-(1-benzylpiperidin-4-yl)-3-benzylsulfonyl-3,6-diazabicyclo[3.2.0]heptane
SMILESO=S(=O)(Cc1ccccc1)N1CC2CN(C3CCN(Cc4ccccc4)CC3)C2C1
InChIInChI=1S/C24H31N3O2S/c28-30(29,19-21-9-5-2-6-10-21)26-16-22-17-27(24(22)18-26)23-11-13-25(14-12-23)15-20-7-3-1-4-8-20/h1-10,22-24H,11-19H2
InChIKeyLSCPCIOTJYJMDP-UHFFFAOYSA-N
XLogP2.80
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.60
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(1-benzylpiperidin-4-yl)-3-benzylsulfonyl-3,6-diazabicyclo[3.2.0]heptane 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

2-(1-benzylpiperidin-4-yl)-2-azabicyclo[2.1.1]hexan-5-amine
CID 130871523
1-benzyl-4-(benzylsulfonylmethyl)piperidine
CID 18919882
3-benzylsulfonyl-6-[(4-phenylphenyl)methyl]-3,6-diazabicyclo[3.2.0]heptane
CID 131662523
1-[(1S,5R)-6-(1-benzylpiperidin-4-yl)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-2-(4-chlorophenyl)ethanone
CID 97401651
(1S,5S)-3-(benzenesulfonyl)-6-(1-propylpiperidin-4-yl)-3,6-diazabicyclo[3.2.0]heptane
CID 124822891
3-benzylsulfonyl-6-[(2-chlorophenyl)methyl]-3,6-diazabicyclo[3.2.0]heptane
CID 131638522
1-benzyl-4-[(3-iodophenyl)methylsulfonyl]piperazine
CID 71699058
(3aS,6aS)-5-benzylsulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
CID 43602951
1-benzylsulfonyl-3,5-dimethylpiperidine
CID 3113494
1-(1-benzylpiperidin-4-yl)-3,6-dihydro-2H-pyridine
CID 141068569
1-benzylsulfonyl-4-[(4-ethylphenyl)methyl]piperazine;oxalic acid
CID 2900486
1-(1-benzylpiperidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712027

Frequently Asked Questions

What is the IUPAC name of 6-(1-benzylpiperidin-4-yl)-3-benzylsulfonyl-3,6-diazabicyclo[3.2.0]heptane?
The IUPAC name of 6-(1-benzylpiperidin-4-yl)-3-benzylsulfonyl-3,6-diazabicyclo[3.2.0]heptane (CID 134076379) is 6-(1-benzylpiperidin-4-yl)-3-benzylsulfonyl-3,6-diazabicyclo[3.2.0]heptane.
What is the SMILES notation for 6-(1-benzylpiperidin-4-yl)-3-benzylsulfonyl-3,6-diazabicyclo[3.2.0]heptane?
The canonical SMILES for 6-(1-benzylpiperidin-4-yl)-3-benzylsulfonyl-3,6-diazabicyclo[3.2.0]heptane is O=S(=O)(Cc1ccccc1)N1CC2CN(C3CCN(Cc4ccccc4)CC3)C2C1.
What is the InChIKey of 6-(1-benzylpiperidin-4-yl)-3-benzylsulfonyl-3,6-diazabicyclo[3.2.0]heptane?
The InChIKey is LSCPCIOTJYJMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2S/c28-30(29,19-21-9-5-2-6-10-21)26-16-22-17-27(24(22)18-26)23-11-13-25(14-12-23)15-20-7-3-1-4-8-20/h1-10,22-24H,11-19H2.
What are the key properties of 6-(1-benzylpiperidin-4-yl)-3-benzylsulfonyl-3,6-diazabicyclo[3.2.0]heptane?
6-(1-benzylpiperidin-4-yl)-3-benzylsulfonyl-3,6-diazabicyclo[3.2.0]heptane has a molecular weight of 425.60 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzylpiperidin-4-yl)-3-benzylsulfonyl-3,6-diazabicyclo[3.2.0]heptane is sourced from PubChem (CID 134076379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).