N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]piperidine-4-carboxamide

C23H38N4O4S — CID 55986906

IUPACN-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]piperidine-4-carboxamide
SMILESCNS(=O)(=O)c1cc(C(=O)N2CCC(C(=O)NCC(C)(C)CN(C)C)CC2)cc(C)c1C
InChIInChI=1S/C23H38N4O4S/c1-16-12-19(13-20(17(16)2)32(30,31)24-5)22(29)27-10-8-18(9-11-27)21(28)25-14-23(3,4)15-26(6)7/h12-13,18,24H,8-11,14-15H2,1-7H3,(H,25,28)
InChIKeyBSFHXGSUNIJPIJ-UHFFFAOYSA-N
MW466.65 g/mol
LogP1.77
Rot. Bonds8

About N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]piperidine-4-carboxamide

N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]piperidine-4-carboxamide (PubChem CID 55986906) has the molecular formula C23H38N4O4S and a molecular weight of 466.65 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]piperidine-4-carboxamide
PubChem CID55986906
Molecular FormulaC23H38N4O4S
Molecular Weight466.65 g/mol
Exact Mass466.26
IUPAC NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]piperidine-4-carboxamide
SMILESCNS(=O)(=O)c1cc(C(=O)N2CCC(C(=O)NCC(C)(C)CN(C)C)CC2)cc(C)c1C
InChIInChI=1S/C23H38N4O4S/c1-16-12-19(13-20(17(16)2)32(30,31)24-5)22(29)27-10-8-18(9-11-27)21(28)25-14-23(3,4)15-26(6)7/h12-13,18,24H,8-11,14-15H2,1-7H3,(H,25,28)
InChIKeyBSFHXGSUNIJPIJ-UHFFFAOYSA-N
XLogP1.77
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.65
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-dimethoxybenzoyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 55719801
1-[4-(diethylsulfamoyl)benzoyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 55987670
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[4-(prop-2-enylsulfamoyl)benzoyl]piperidine-4-carboxamide
CID 55987288
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(2,3-dimethyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide
CID 55987518
5-(4-benzylpiperidine-1-carbonyl)-N,2,3-trimethylbenzenesulfonamide
CID 24639837
N,2,3-trimethyl-5-(morpholine-4-carbonyl)benzenesulfonamide
CID 27258264
1-(2-butyl-1,3-dioxoisoindole-5-carbonyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 55986516
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
CID 46949905
1-(5-bromothiophen-2-yl)sulfonyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 55332211
1-(5-chloro-2-methoxyphenyl)sulfonyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 3230697
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 3230694
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-[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]piperidine-4-carboxamide?
The IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]piperidine-4-carboxamide (CID 55986906) is N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]piperidine-4-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]piperidine-4-carboxamide is CNS(=O)(=O)c1cc(C(=O)N2CCC(C(=O)NCC(C)(C)CN(C)C)CC2)cc(C)c1C.
What is the InChIKey of N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]piperidine-4-carboxamide?
The InChIKey is BSFHXGSUNIJPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N4O4S/c1-16-12-19(13-20(17(16)2)32(30,31)24-5)22(29)27-10-8-18(9-11-27)21(28)25-14-23(3,4)15-26(6)7/h12-13,18,24H,8-11,14-15H2,1-7H3,(H,25,28).
What are the key properties of N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]piperidine-4-carboxamide?
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]piperidine-4-carboxamide has a molecular weight of 466.65 g/mol, XLogP of 1.77, 8 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-[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 55986906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).