ethyl 4-[1-(diethylsulfamoyl)piperidine-4-carbonyl]piperazine-1-carboxylate

C17H32N4O5S — CID 3239360

IUPACethyl 4-[1-(diethylsulfamoyl)piperidine-4-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)N(CC)CC)CC2)CC1
InChIInChI=1S/C17H32N4O5S/c1-4-20(5-2)27(24,25)21-9-7-15(8-10-21)16(22)18-11-13-19(14-12-18)17(23)26-6-3/h15H,4-14H2,1-3H3
InChIKeyAGFJICQANHQZIQ-UHFFFAOYSA-N
MW404.53 g/mol
LogP0.59
Rot. Bonds6

About ethyl 4-[1-(diethylsulfamoyl)piperidine-4-carbonyl]piperazine-1-carboxylate

ethyl 4-[1-(diethylsulfamoyl)piperidine-4-carbonyl]piperazine-1-carboxylate (PubChem CID 3239360) has the molecular formula C17H32N4O5S and a molecular weight of 404.53 g/mol. Its IUPAC name is ethyl 4-[1-(diethylsulfamoyl)piperidine-4-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[1-(diethylsulfamoyl)piperidine-4-carbonyl]piperazine-1-carboxylate
PubChem CID3239360
Molecular FormulaC17H32N4O5S
Molecular Weight404.53 g/mol
Exact Mass404.21
IUPAC Nameethyl 4-[1-(diethylsulfamoyl)piperidine-4-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)N(CC)CC)CC2)CC1
InChIInChI=1S/C17H32N4O5S/c1-4-20(5-2)27(24,25)21-9-7-15(8-10-21)16(22)18-11-13-19(14-12-18)17(23)26-6-3/h15H,4-14H2,1-3H3
InChIKeyAGFJICQANHQZIQ-UHFFFAOYSA-N
XLogP0.59
TPSA90.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 4-{[1-(methylsulfonyl)-4-piperidinyl]carbonyl}-1-piperazinecarboxylate
CID 893703
Ethyl 4-{[1-(propylsulfonyl)piperidin-4-yl]carbonyl}piperazine-1-carboxylate
CID 3235940
Ethyl 4-{[1-(pyrrolidin-1-ylsulfonyl)piperidin-4-yl]carbonyl}piperazine-1-carboxylate
CID 3239339
Ethyl 4-{[1-(ethylsulfonyl)piperidin-4-yl]carbonyl}piperazine-1-carboxylate
CID 3244194
N,N-bis(2-methylpropyl)-4-(morpholine-4-carbonyl)piperidine-1-sulfonamide
CID 4172086
1-{[4-(Ethoxycarbonyl)piperazin-1-yl]sulfonyl}piperidine-4-carboxylic acid
CID 4577159
N,N-diethyl-4-(4-methylpiperazine-1-carbonyl)piperidine-1-sulfonamide
CID 3499603
Tert-butyl 4-[4-(dimethylsulfamoyl)piperazine-1-carbonyl]piperidine-1-carboxylate
CID 45875483
Ethyl 4-(4-methylpiperazine-1-carbonyl)piperidine-1-carboxylate
CID 113003662
2-Methylpropyl 4-(1-propan-2-ylpiperidine-4-carbonyl)piperazine-1-carboxylate
CID 171072597
Ethyl 4-[3-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylpiperazine-1-carboxylate
CID 4425632
1-(4-Ethoxycarbonylpiperazin-1-yl)sulfonylpiperidine-4-carboxylate
CID 5076472

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-(diethylsulfamoyl)piperidine-4-carbonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[1-(diethylsulfamoyl)piperidine-4-carbonyl]piperazine-1-carboxylate (CID 3239360) is ethyl 4-[1-(diethylsulfamoyl)piperidine-4-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[1-(diethylsulfamoyl)piperidine-4-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[1-(diethylsulfamoyl)piperidine-4-carbonyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)N(CC)CC)CC2)CC1.
What is the InChIKey of ethyl 4-[1-(diethylsulfamoyl)piperidine-4-carbonyl]piperazine-1-carboxylate?
The InChIKey is AGFJICQANHQZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O5S/c1-4-20(5-2)27(24,25)21-9-7-15(8-10-21)16(22)18-11-13-19(14-12-18)17(23)26-6-3/h15H,4-14H2,1-3H3.
What are the key properties of ethyl 4-[1-(diethylsulfamoyl)piperidine-4-carbonyl]piperazine-1-carboxylate?
ethyl 4-[1-(diethylsulfamoyl)piperidine-4-carbonyl]piperazine-1-carboxylate has a molecular weight of 404.53 g/mol, XLogP of 0.59, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-(diethylsulfamoyl)piperidine-4-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 3239360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).