4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-morpholin-4-ylbenzamide

C18H27N3O4S — CID 4063195

IUPAC4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-morpholin-4-ylbenzamide
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc(C(=O)NN3CCOCC3)cc2)C1
InChIInChI=1S/C18H27N3O4S/c1-14-11-15(2)13-21(12-14)26(23,24)17-5-3-16(4-6-17)18(22)19-20-7-9-25-10-8-20/h3-6,14-15H,7-13H2,1-2H3,(H,19,22)
InChIKeyNSQDLKQAMCSIIX-UHFFFAOYSA-N
MW381.50 g/mol
LogP1.33
Rot. Bonds4

About 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-morpholin-4-ylbenzamide

4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-morpholin-4-ylbenzamide (PubChem CID 4063195) has the molecular formula C18H27N3O4S and a molecular weight of 381.50 g/mol. Its IUPAC name is 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-morpholin-4-ylbenzamide.

Molecular Properties

Compound Name4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-morpholin-4-ylbenzamide
PubChem CID4063195
Molecular FormulaC18H27N3O4S
Molecular Weight381.50 g/mol
Exact Mass381.17
IUPAC Name4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-morpholin-4-ylbenzamide
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc(C(=O)NN3CCOCC3)cc2)C1
InChIInChI=1S/C18H27N3O4S/c1-14-11-15(2)13-21(12-14)26(23,24)17-5-3-16(4-6-17)18(22)19-20-7-9-25-10-8-20/h3-6,14-15H,7-13H2,1-2H3,(H,19,22)
InChIKeyNSQDLKQAMCSIIX-UHFFFAOYSA-N
XLogP1.33
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-morpholin-4-ylbenzamide 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 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-morpholin-4-ylbenzamide?
The IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-morpholin-4-ylbenzamide (CID 4063195) is 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-morpholin-4-ylbenzamide.
What is the SMILES notation for 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-morpholin-4-ylbenzamide?
The canonical SMILES for 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-morpholin-4-ylbenzamide is CC1CC(C)CN(S(=O)(=O)c2ccc(C(=O)NN3CCOCC3)cc2)C1.
What is the InChIKey of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-morpholin-4-ylbenzamide?
The InChIKey is NSQDLKQAMCSIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4S/c1-14-11-15(2)13-21(12-14)26(23,24)17-5-3-16(4-6-17)18(22)19-20-7-9-25-10-8-20/h3-6,14-15H,7-13H2,1-2H3,(H,19,22).
What are the key properties of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-morpholin-4-ylbenzamide?
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-morpholin-4-ylbenzamide has a molecular weight of 381.50 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-morpholin-4-ylbenzamide is sourced from PubChem (CID 4063195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).