N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[4-(prop-2-enylsulfamoyl)benzoyl]piperidine-4-carboxamide

C23H36N4O4S — CID 55987288

IUPACN-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[4-(prop-2-enylsulfamoyl)benzoyl]piperidine-4-carboxamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)NCC(C)(C)CN(C)C)CC2)cc1
InChIInChI=1S/C23H36N4O4S/c1-6-13-25-32(30,31)20-9-7-19(8-10-20)22(29)27-14-11-18(12-15-27)21(28)24-16-23(2,3)17-26(4)5/h6-10,18,25H,1,11-17H2,2-5H3,(H,24,28)
InChIKeyKHVGFYCIJLUIKN-UHFFFAOYSA-N
MW464.63 g/mol
LogP1.71
Rot. Bonds10

About N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[4-(prop-2-enylsulfamoyl)benzoyl]piperidine-4-carboxamide

N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[4-(prop-2-enylsulfamoyl)benzoyl]piperidine-4-carboxamide (PubChem CID 55987288) has the molecular formula C23H36N4O4S and a molecular weight of 464.63 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[4-(prop-2-enylsulfamoyl)benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[4-(prop-2-enylsulfamoyl)benzoyl]piperidine-4-carboxamide
PubChem CID55987288
Molecular FormulaC23H36N4O4S
Molecular Weight464.63 g/mol
Exact Mass464.25
IUPAC NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[4-(prop-2-enylsulfamoyl)benzoyl]piperidine-4-carboxamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)NCC(C)(C)CN(C)C)CC2)cc1
InChIInChI=1S/C23H36N4O4S/c1-6-13-25-32(30,31)20-9-7-19(8-10-20)22(29)27-14-11-18(12-15-27)21(28)24-16-23(2,3)17-26(4)5/h6-10,18,25H,1,11-17H2,2-5H3,(H,24,28)
InChIKeyKHVGFYCIJLUIKN-UHFFFAOYSA-N
XLogP1.71
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.63
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[4-(prop-2-enylsulfamoyl)benzoyl]piperidine-4-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

1-[4-(diethylsulfamoyl)benzoyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 55987670
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]piperidine-4-carboxamide
CID 55986906
1-(3,5-dimethoxybenzoyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 55719801
4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide;hydrochloride
CID 119542229
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 3230694
N-prop-2-enyl-4-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 41442277
4-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]benzoic acid
CID 29293310
1-[4-(diethylsulfamoyl)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 37364113
1-(4-fluorobenzoyl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 26425670
1-(4-cyclohexylphenyl)sulfonyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 55987264
4-(3-methylpiperazine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide
CID 119580645
1-(2H-chromene-3-carbonyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 86849263

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[4-(prop-2-enylsulfamoyl)benzoyl]piperidine-4-carboxamide?
The IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[4-(prop-2-enylsulfamoyl)benzoyl]piperidine-4-carboxamide (CID 55987288) is N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[4-(prop-2-enylsulfamoyl)benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[4-(prop-2-enylsulfamoyl)benzoyl]piperidine-4-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[4-(prop-2-enylsulfamoyl)benzoyl]piperidine-4-carboxamide is C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)NCC(C)(C)CN(C)C)CC2)cc1.
What is the InChIKey of N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[4-(prop-2-enylsulfamoyl)benzoyl]piperidine-4-carboxamide?
The InChIKey is KHVGFYCIJLUIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O4S/c1-6-13-25-32(30,31)20-9-7-19(8-10-20)22(29)27-14-11-18(12-15-27)21(28)24-16-23(2,3)17-26(4)5/h6-10,18,25H,1,11-17H2,2-5H3,(H,24,28).
What are the key properties of N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[4-(prop-2-enylsulfamoyl)benzoyl]piperidine-4-carboxamide?
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[4-(prop-2-enylsulfamoyl)benzoyl]piperidine-4-carboxamide has a molecular weight of 464.63 g/mol, XLogP of 1.71, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[4-(prop-2-enylsulfamoyl)benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 55987288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).