methyl 1-[4-(dimethylsulfamoyl)benzoyl]piperidine-4-carboxylate

C16H22N2O5S — CID 51153899

IUPACmethyl 1-[4-(dimethylsulfamoyl)benzoyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC1
InChIInChI=1S/C16H22N2O5S/c1-17(2)24(21,22)14-6-4-12(5-7-14)15(19)18-10-8-13(9-11-18)16(20)23-3/h4-7,13H,8-11H2,1-3H3
InChIKeyORODAYGSCQGPSW-UHFFFAOYSA-N
MW354.43 g/mol
LogP0.96
Rot. Bonds4

About methyl 1-[4-(dimethylsulfamoyl)benzoyl]piperidine-4-carboxylate

methyl 1-[4-(dimethylsulfamoyl)benzoyl]piperidine-4-carboxylate (PubChem CID 51153899) has the molecular formula C16H22N2O5S and a molecular weight of 354.43 g/mol. Its IUPAC name is methyl 1-[4-(dimethylsulfamoyl)benzoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[4-(dimethylsulfamoyl)benzoyl]piperidine-4-carboxylate
PubChem CID51153899
Molecular FormulaC16H22N2O5S
Molecular Weight354.43 g/mol
Exact Mass354.12
IUPAC Namemethyl 1-[4-(dimethylsulfamoyl)benzoyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC1
InChIInChI=1S/C16H22N2O5S/c1-17(2)24(21,22)14-6-4-12(5-7-14)15(19)18-10-8-13(9-11-18)16(20)23-3/h4-7,13H,8-11H2,1-3H3
InChIKeyORODAYGSCQGPSW-UHFFFAOYSA-N
XLogP0.96
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(dimethylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 119354199
4-(4-benzylpiperidine-1-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 9414267
N,N-dimethyl-4-(4-oxopiperidine-1-carbonyl)benzenesulfonamide
CID 2556261
4-(4-cyclopentylpiperazine-1-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 113073023
methyl 1-[4-(bromomethyl)benzoyl]piperidine-4-carboxylate
CID 102850825
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 8803174
4-[3-(cyclopropylmethoxy)pyrrolidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 121197435
ethyl 1-[4-(dipropylsulfamoyl)benzoyl]piperidine-4-carboxylate
CID 44533421
ethyl 4-[4-(dimethylsulfamoyl)benzoyl]piperazine-1-carboxylate
CID 3308115
methyl 1-(4-phenoxybenzoyl)piperidine-4-carboxylate
CID 26865644
[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate
CID 16550879
N,N-dimethyl-4-[4-(1-methylpyrazol-3-yl)piperidine-1-carbonyl]benzenesulfonamide
CID 121021010

Frequently Asked Questions

What is the IUPAC name of methyl 1-[4-(dimethylsulfamoyl)benzoyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[4-(dimethylsulfamoyl)benzoyl]piperidine-4-carboxylate (CID 51153899) is methyl 1-[4-(dimethylsulfamoyl)benzoyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[4-(dimethylsulfamoyl)benzoyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[4-(dimethylsulfamoyl)benzoyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC1.
What is the InChIKey of methyl 1-[4-(dimethylsulfamoyl)benzoyl]piperidine-4-carboxylate?
The InChIKey is ORODAYGSCQGPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5S/c1-17(2)24(21,22)14-6-4-12(5-7-14)15(19)18-10-8-13(9-11-18)16(20)23-3/h4-7,13H,8-11H2,1-3H3.
What are the key properties of methyl 1-[4-(dimethylsulfamoyl)benzoyl]piperidine-4-carboxylate?
methyl 1-[4-(dimethylsulfamoyl)benzoyl]piperidine-4-carboxylate has a molecular weight of 354.43 g/mol, XLogP of 0.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[4-(dimethylsulfamoyl)benzoyl]piperidine-4-carboxylate is sourced from PubChem (CID 51153899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).