4-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide

C19H31N3O6S — CID 20629076

IUPAC4-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCC(NS(=O)(=O)C(C)(C)C)CC2)cc(OC)c1OC
InChIInChI=1S/C19H31N3O6S/c1-19(2,3)29(24,25)21-13-7-9-22(10-8-13)18(23)20-14-11-15(26-4)17(28-6)16(12-14)27-5/h11-13,21H,7-10H2,1-6H3,(H,20,23)
InChIKeyQDVFWOMRGTVAIJ-UHFFFAOYSA-N
MW429.54 g/mol
LogP2.43
Rot. Bonds6

About 4-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide

4-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide (PubChem CID 20629076) has the molecular formula C19H31N3O6S and a molecular weight of 429.54 g/mol. Its IUPAC name is 4-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
PubChem CID20629076
Molecular FormulaC19H31N3O6S
Molecular Weight429.54 g/mol
Exact Mass429.19
IUPAC Name4-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCC(NS(=O)(=O)C(C)(C)C)CC2)cc(OC)c1OC
InChIInChI=1S/C19H31N3O6S/c1-19(2,3)29(24,25)21-13-7-9-22(10-8-13)18(23)20-14-11-15(26-4)17(28-6)16(12-14)27-5/h11-13,21H,7-10H2,1-6H3,(H,20,23)
InChIKeyQDVFWOMRGTVAIJ-UHFFFAOYSA-N
XLogP2.43
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)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

Related Compounds

N-(4-tert-butylphenyl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide
CID 20630756
4-(benzenesulfonyl)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
CID 90589401
N-(3,4,5-trimethoxyphenyl)azepane-1-carboxamide
CID 3051874
4-(tert-butylsulfonylamino)-N-[3-(cyclohexylsulfamoyl)phenyl]piperidine-1-carboxamide
CID 20629800
4-(tert-butylsulfonylamino)-N-(2,4,6-trifluorophenyl)piperidine-1-carboxamide
CID 20629067
4-[(4-tert-butylphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
CID 46089269
3-ethylsulfonyl-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide
CID 121164575
4-(tert-butylsulfonylamino)-N-(3-cyclohexyloxyphenyl)piperidine-1-carboxamide
CID 20629788
4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]piperidine-1-carboxamide
CID 20630138
4-(tert-butylsulfonylamino)-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 20629541
4-[2-(butylamino)-2-oxoethyl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
CID 53057634
4-(tert-butylsulfonylamino)-N-[4-(2,3-dimethylcyclohexyl)phenyl]piperidine-1-carboxamide
CID 20629976

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide (CID 20629076) is 4-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide is COc1cc(NC(=O)N2CCC(NS(=O)(=O)C(C)(C)C)CC2)cc(OC)c1OC.
What is the InChIKey of 4-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide?
The InChIKey is QDVFWOMRGTVAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O6S/c1-19(2,3)29(24,25)21-13-7-9-22(10-8-13)18(23)20-14-11-15(26-4)17(28-6)16(12-14)27-5/h11-13,21H,7-10H2,1-6H3,(H,20,23).
What are the key properties of 4-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide?
4-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide has a molecular weight of 429.54 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 20629076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).