ethyl 1-[4-(dipropylsulfamoyl)benzoyl]piperidine-4-carboxylate

C21H32N2O5S — CID 44533421

IUPACethyl 1-[4-(dipropylsulfamoyl)benzoyl]piperidine-4-carboxylate
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)OCC)CC2)cc1
InChIInChI=1S/C21H32N2O5S/c1-4-13-23(14-5-2)29(26,27)19-9-7-17(8-10-19)20(24)22-15-11-18(12-16-22)21(25)28-6-3/h7-10,18H,4-6,11-16H2,1-3H3
InChIKeyDUQUSCOKKBTAOK-UHFFFAOYSA-N
MW424.56 g/mol
LogP2.91
Rot. Bonds9

About ethyl 1-[4-(dipropylsulfamoyl)benzoyl]piperidine-4-carboxylate

ethyl 1-[4-(dipropylsulfamoyl)benzoyl]piperidine-4-carboxylate (PubChem CID 44533421) has the molecular formula C21H32N2O5S and a molecular weight of 424.56 g/mol. Its IUPAC name is ethyl 1-[4-(dipropylsulfamoyl)benzoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-(dipropylsulfamoyl)benzoyl]piperidine-4-carboxylate
PubChem CID44533421
Molecular FormulaC21H32N2O5S
Molecular Weight424.56 g/mol
Exact Mass424.20
IUPAC Nameethyl 1-[4-(dipropylsulfamoyl)benzoyl]piperidine-4-carboxylate
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)OCC)CC2)cc1
InChIInChI=1S/C21H32N2O5S/c1-4-13-23(14-5-2)29(26,27)19-9-7-17(8-10-19)20(24)22-15-11-18(12-16-22)21(25)28-6-3/h7-10,18H,4-6,11-16H2,1-3H3
InChIKeyDUQUSCOKKBTAOK-UHFFFAOYSA-N
XLogP2.91
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.56
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[4-[benzenesulfonyl(methyl)amino]benzoyl]piperidine-4-carboxylate
CID 23761964
ethyl 1-[4-(prop-2-ynylsulfamoyl)benzoyl]piperidine-4-carboxylate
CID 51298052
4-(3-methylpiperidine-1-carbonyl)-N,N-dipropylbenzenesulfonamide
CID 109061524
4-(3-aminopiperidine-1-carbonyl)-N,N-dipropylbenzenesulfonamide;hydrochloride
CID 119377266
ethyl 1-[4-(chloromethyl)benzoyl]piperidine-4-carboxylate
CID 43333531
ethyl 4-[4-(diethylsulfamoyl)benzoyl]piperazine-1-carboxylate
CID 9093923
4-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N,N-dipropylbenzenesulfonamide;hydrochloride
CID 119631027
methyl 1-[4-(dimethylsulfamoyl)benzoyl]piperidine-4-carboxylate
CID 51153899
ethyl 1-(4-pentoxybenzoyl)piperidine-4-carboxylate
CID 17230839
4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N,N-dipropylbenzenesulfonamide;hydrochloride
CID 119592837
ethyl 1-(1,3-benzodioxole-5-carbonyl)piperidine-4-carboxylate
CID 660812
ethyl 4-[4-(dimethylsulfamoyl)benzoyl]piperazine-1-carboxylate
CID 3308115

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-(dipropylsulfamoyl)benzoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[4-(dipropylsulfamoyl)benzoyl]piperidine-4-carboxylate (CID 44533421) is ethyl 1-[4-(dipropylsulfamoyl)benzoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[4-(dipropylsulfamoyl)benzoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[4-(dipropylsulfamoyl)benzoyl]piperidine-4-carboxylate is CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)OCC)CC2)cc1.
What is the InChIKey of ethyl 1-[4-(dipropylsulfamoyl)benzoyl]piperidine-4-carboxylate?
The InChIKey is DUQUSCOKKBTAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O5S/c1-4-13-23(14-5-2)29(26,27)19-9-7-17(8-10-19)20(24)22-15-11-18(12-16-22)21(25)28-6-3/h7-10,18H,4-6,11-16H2,1-3H3.
What are the key properties of ethyl 1-[4-(dipropylsulfamoyl)benzoyl]piperidine-4-carboxylate?
ethyl 1-[4-(dipropylsulfamoyl)benzoyl]piperidine-4-carboxylate has a molecular weight of 424.56 g/mol, XLogP of 2.91, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-(dipropylsulfamoyl)benzoyl]piperidine-4-carboxylate is sourced from PubChem (CID 44533421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).