ethyl 1-[[3-(4-chlorophenyl)cyclobutyl]sulfamoyl]piperidine-4-carboxylate

C18H25ClN2O4S — CID 166223415

IUPACethyl 1-[[3-(4-chlorophenyl)cyclobutyl]sulfamoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)NC2CC(c3ccc(Cl)cc3)C2)CC1
InChIInChI=1S/C18H25ClN2O4S/c1-2-25-18(22)14-7-9-21(10-8-14)26(23,24)20-17-11-15(12-17)13-3-5-16(19)6-4-13/h3-6,14-15,17,20H,2,7-12H2,1H3
InChIKeyGRVHIAYFDYDVSQ-UHFFFAOYSA-N
MW400.93 g/mol
LogP2.70
Rot. Bonds6

About ethyl 1-[[3-(4-chlorophenyl)cyclobutyl]sulfamoyl]piperidine-4-carboxylate

ethyl 1-[[3-(4-chlorophenyl)cyclobutyl]sulfamoyl]piperidine-4-carboxylate (PubChem CID 166223415) has the molecular formula C18H25ClN2O4S and a molecular weight of 400.93 g/mol. Its IUPAC name is ethyl 1-[[3-(4-chlorophenyl)cyclobutyl]sulfamoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[3-(4-chlorophenyl)cyclobutyl]sulfamoyl]piperidine-4-carboxylate
PubChem CID166223415
Molecular FormulaC18H25ClN2O4S
Molecular Weight400.93 g/mol
Exact Mass400.12
IUPAC Nameethyl 1-[[3-(4-chlorophenyl)cyclobutyl]sulfamoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)NC2CC(c3ccc(Cl)cc3)C2)CC1
InChIInChI=1S/C18H25ClN2O4S/c1-2-25-18(22)14-7-9-21(10-8-14)26(23,24)20-17-11-15(12-17)13-3-5-16(19)6-4-13/h3-6,14-15,17,20H,2,7-12H2,1H3
InChIKeyGRVHIAYFDYDVSQ-UHFFFAOYSA-N
XLogP2.70
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.93
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylpiperidine-4-carboxylate
CID 26947501
ethyl 1-[[(3S)-piperidin-3-yl]sulfamoyl]piperidine-4-carboxylate
CID 104982617
ethyl 1-(5-chloro-2-fluorophenyl)sulfonylpiperidine-4-carboxylate
CID 110759367
ethyl 1-(propan-2-ylsulfamoyl)piperidine-4-carboxylate
CID 60731767
ethyl 1-ethylsulfonylpiperidine-4-carboxylate
CID 17022443
ethyl 1-[(6-chloro-3-pyridinyl)sulfonyl]piperidine-4-carboxylate
CID 822460
ethyl 1-[2-[(4-chlorophenyl)methylamino]-2-oxoacetyl]piperidine-4-carboxylate
CID 44995824
ethyl 4-phenylcyclohexane-1-carboxylate
CID 15047124
ethyl 1-(2-hydroxyethylsulfamoyl)piperidine-4-carboxylate
CID 43502025
3-[(4-ethoxycarbonylpiperidin-1-yl)sulfonylamino]butanoic acid
CID 43362362
ethyl 1-[1-(4-chlorophenyl)ethyl]piperidine-4-carboxylate
CID 60561773
1-O-(4-chlorophenyl) 4-O-ethyl piperidine-1,4-dicarboxylate
CID 127548047

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[3-(4-chlorophenyl)cyclobutyl]sulfamoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[[3-(4-chlorophenyl)cyclobutyl]sulfamoyl]piperidine-4-carboxylate (CID 166223415) is ethyl 1-[[3-(4-chlorophenyl)cyclobutyl]sulfamoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[[3-(4-chlorophenyl)cyclobutyl]sulfamoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[[3-(4-chlorophenyl)cyclobutyl]sulfamoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(S(=O)(=O)NC2CC(c3ccc(Cl)cc3)C2)CC1.
What is the InChIKey of ethyl 1-[[3-(4-chlorophenyl)cyclobutyl]sulfamoyl]piperidine-4-carboxylate?
The InChIKey is GRVHIAYFDYDVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O4S/c1-2-25-18(22)14-7-9-21(10-8-14)26(23,24)20-17-11-15(12-17)13-3-5-16(19)6-4-13/h3-6,14-15,17,20H,2,7-12H2,1H3.
What are the key properties of ethyl 1-[[3-(4-chlorophenyl)cyclobutyl]sulfamoyl]piperidine-4-carboxylate?
ethyl 1-[[3-(4-chlorophenyl)cyclobutyl]sulfamoyl]piperidine-4-carboxylate has a molecular weight of 400.93 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[3-(4-chlorophenyl)cyclobutyl]sulfamoyl]piperidine-4-carboxylate is sourced from PubChem (CID 166223415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).