3,3,5-trimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]piperidine-1-carboxamide

C21H33N3O4S — CID 166209244

IUPAC3,3,5-trimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]piperidine-1-carboxamide
SMILESCC1CN(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)CC(C)(C)C1
InChIInChI=1S/C21H33N3O4S/c1-17-12-21(2,3)16-23(14-17)20(25)22-13-18-6-4-5-7-19(18)15-29(26,27)24-8-10-28-11-9-24/h4-7,17H,8-16H2,1-3H3,(H,22,25)
InChIKeyZCPLRDDFODVKMI-UHFFFAOYSA-N
MW423.58 g/mol
LogP2.43
Rot. Bonds5

About 3,3,5-trimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]piperidine-1-carboxamide

3,3,5-trimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]piperidine-1-carboxamide (PubChem CID 166209244) has the molecular formula C21H33N3O4S and a molecular weight of 423.58 g/mol. Its IUPAC name is 3,3,5-trimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3,3,5-trimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]piperidine-1-carboxamide
PubChem CID166209244
Molecular FormulaC21H33N3O4S
Molecular Weight423.58 g/mol
Exact Mass423.22
IUPAC Name3,3,5-trimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]piperidine-1-carboxamide
SMILESCC1CN(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)CC(C)(C)C1
InChIInChI=1S/C21H33N3O4S/c1-17-12-21(2,3)16-23(14-17)20(25)22-13-18-6-4-5-7-19(18)15-29(26,27)24-8-10-28-11-9-24/h4-7,17H,8-16H2,1-3H3,(H,22,25)
InChIKeyZCPLRDDFODVKMI-UHFFFAOYSA-N
XLogP2.43
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.58
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,3,5-trimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]piperidine-1-carboxamide?
The IUPAC name of 3,3,5-trimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]piperidine-1-carboxamide (CID 166209244) is 3,3,5-trimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for 3,3,5-trimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]piperidine-1-carboxamide?
The canonical SMILES for 3,3,5-trimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]piperidine-1-carboxamide is CC1CN(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)CC(C)(C)C1.
What is the InChIKey of 3,3,5-trimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]piperidine-1-carboxamide?
The InChIKey is ZCPLRDDFODVKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O4S/c1-17-12-21(2,3)16-23(14-17)20(25)22-13-18-6-4-5-7-19(18)15-29(26,27)24-8-10-28-11-9-24/h4-7,17H,8-16H2,1-3H3,(H,22,25).
What are the key properties of 3,3,5-trimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]piperidine-1-carboxamide?
3,3,5-trimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]piperidine-1-carboxamide has a molecular weight of 423.58 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 166209244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).