N-[[4-(diethylamino)phenyl]methyl]-1-(dimethylsulfamoyl)piperidine-4-carboxamide

C19H32N4O3S — CID 73253676

IUPACN-[[4-(diethylamino)phenyl]methyl]-1-(dimethylsulfamoyl)piperidine-4-carboxamide
SMILESCCN(CC)c1ccc(CNC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)cc1
InChIInChI=1S/C19H32N4O3S/c1-5-22(6-2)18-9-7-16(8-10-18)15-20-19(24)17-11-13-23(14-12-17)27(25,26)21(3)4/h7-10,17H,5-6,11-15H2,1-4H3,(H,20,24)
InChIKeyCVHXIQBQPIFVOA-UHFFFAOYSA-N
MW396.56 g/mol
LogP1.67
Rot. Bonds8

About N-[[4-(diethylamino)phenyl]methyl]-1-(dimethylsulfamoyl)piperidine-4-carboxamide

N-[[4-(diethylamino)phenyl]methyl]-1-(dimethylsulfamoyl)piperidine-4-carboxamide (PubChem CID 73253676) has the molecular formula C19H32N4O3S and a molecular weight of 396.56 g/mol. Its IUPAC name is N-[[4-(diethylamino)phenyl]methyl]-1-(dimethylsulfamoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(diethylamino)phenyl]methyl]-1-(dimethylsulfamoyl)piperidine-4-carboxamide
PubChem CID73253676
Molecular FormulaC19H32N4O3S
Molecular Weight396.56 g/mol
Exact Mass396.22
IUPAC NameN-[[4-(diethylamino)phenyl]methyl]-1-(dimethylsulfamoyl)piperidine-4-carboxamide
SMILESCCN(CC)c1ccc(CNC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)cc1
InChIInChI=1S/C19H32N4O3S/c1-5-22(6-2)18-9-7-16(8-10-18)15-20-19(24)17-11-13-23(14-12-17)27(25,26)21(3)4/h7-10,17H,5-6,11-15H2,1-4H3,(H,20,24)
InChIKeyCVHXIQBQPIFVOA-UHFFFAOYSA-N
XLogP1.67
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(diethylamino)phenyl]methyl]-1-prop-2-ynylpiperidine-4-carboxamide
CID 51092932
1-(dimethylsulfamoyl)-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 41454669
N-[2-(4-chlorophenyl)ethyl]-1-(dimethylsulfamoyl)piperidine-4-carboxamide
CID 56921790
N-[[4-(dimethylamino)phenyl]methyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26443164
1-ethylsulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 35614544
(3R)-N-benzyl-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 39730085
N-[(4-ethoxyphenyl)methyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3445741
N'-[4-(diethylamino)benzoyl]-1-methylsulfonylpiperidine-4-carbohydrazide
CID 25379649
N-[[4-(diethylaminomethyl)phenyl]methyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 27332723
1-methylsulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 50946769
N-[[4-(diethylamino)phenyl]methyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 133210494
1-(dimethylsulfamoyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-4-carboxamide
CID 56921867

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylamino)phenyl]methyl]-1-(dimethylsulfamoyl)piperidine-4-carboxamide?
The IUPAC name of N-[[4-(diethylamino)phenyl]methyl]-1-(dimethylsulfamoyl)piperidine-4-carboxamide (CID 73253676) is N-[[4-(diethylamino)phenyl]methyl]-1-(dimethylsulfamoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[[4-(diethylamino)phenyl]methyl]-1-(dimethylsulfamoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[[4-(diethylamino)phenyl]methyl]-1-(dimethylsulfamoyl)piperidine-4-carboxamide is CCN(CC)c1ccc(CNC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)cc1.
What is the InChIKey of N-[[4-(diethylamino)phenyl]methyl]-1-(dimethylsulfamoyl)piperidine-4-carboxamide?
The InChIKey is CVHXIQBQPIFVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O3S/c1-5-22(6-2)18-9-7-16(8-10-18)15-20-19(24)17-11-13-23(14-12-17)27(25,26)21(3)4/h7-10,17H,5-6,11-15H2,1-4H3,(H,20,24).
What are the key properties of N-[[4-(diethylamino)phenyl]methyl]-1-(dimethylsulfamoyl)piperidine-4-carboxamide?
N-[[4-(diethylamino)phenyl]methyl]-1-(dimethylsulfamoyl)piperidine-4-carboxamide has a molecular weight of 396.56 g/mol, XLogP of 1.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylamino)phenyl]methyl]-1-(dimethylsulfamoyl)piperidine-4-carboxamide is sourced from PubChem (CID 73253676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).