N-(1-benzylpiperidin-4-yl)-1-methylsulfonylazetidine-3-carboxamide

C17H25N3O3S — CID 71785516

IUPACN-(1-benzylpiperidin-4-yl)-1-methylsulfonylazetidine-3-carboxamide
SMILESCS(=O)(=O)N1CC(C(=O)NC2CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C17H25N3O3S/c1-24(22,23)20-12-15(13-20)17(21)18-16-7-9-19(10-8-16)11-14-5-3-2-4-6-14/h2-6,15-16H,7-13H2,1H3,(H,18,21)
InChIKeyOUFDUEAYIATXDE-UHFFFAOYSA-N
MW351.47 g/mol
LogP0.66
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-1-methylsulfonylazetidine-3-carboxamide

N-(1-benzylpiperidin-4-yl)-1-methylsulfonylazetidine-3-carboxamide (PubChem CID 71785516) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-1-methylsulfonylazetidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-1-methylsulfonylazetidine-3-carboxamide
PubChem CID71785516
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC NameN-(1-benzylpiperidin-4-yl)-1-methylsulfonylazetidine-3-carboxamide
SMILESCS(=O)(=O)N1CC(C(=O)NC2CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C17H25N3O3S/c1-24(22,23)20-12-15(13-20)17(21)18-16-7-9-19(10-8-16)11-14-5-3-2-4-6-14/h2-6,15-16H,7-13H2,1H3,(H,18,21)
InChIKeyOUFDUEAYIATXDE-UHFFFAOYSA-N
XLogP0.66
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-1-methylsulfonylazetidine-3-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-1-methylsulfonylazetidine-3-carboxamide (CID 71785516) is N-(1-benzylpiperidin-4-yl)-1-methylsulfonylazetidine-3-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-1-methylsulfonylazetidine-3-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-1-methylsulfonylazetidine-3-carboxamide is CS(=O)(=O)N1CC(C(=O)NC2CCN(Cc3ccccc3)CC2)C1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-1-methylsulfonylazetidine-3-carboxamide?
The InChIKey is OUFDUEAYIATXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-24(22,23)20-12-15(13-20)17(21)18-16-7-9-19(10-8-16)11-14-5-3-2-4-6-14/h2-6,15-16H,7-13H2,1H3,(H,18,21).
What are the key properties of N-(1-benzylpiperidin-4-yl)-1-methylsulfonylazetidine-3-carboxamide?
N-(1-benzylpiperidin-4-yl)-1-methylsulfonylazetidine-3-carboxamide has a molecular weight of 351.47 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-1-methylsulfonylazetidine-3-carboxamide is sourced from PubChem (CID 71785516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).