ethyl 1-[3-(diethylsulfamoyl)benzoyl]piperidine-3-carboxylate

C19H28N2O5S — CID 46684274

IUPACethyl 1-[3-(diethylsulfamoyl)benzoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)C1
InChIInChI=1S/C19H28N2O5S/c1-4-21(5-2)27(24,25)17-11-7-9-15(13-17)18(22)20-12-8-10-16(14-20)19(23)26-6-3/h7,9,11,13,16H,4-6,8,10,12,14H2,1-3H3
InChIKeyQMWFCZSZGJBCLV-UHFFFAOYSA-N
MW396.51 g/mol
LogP2.13
Rot. Bonds7

About ethyl 1-[3-(diethylsulfamoyl)benzoyl]piperidine-3-carboxylate

ethyl 1-[3-(diethylsulfamoyl)benzoyl]piperidine-3-carboxylate (PubChem CID 46684274) has the molecular formula C19H28N2O5S and a molecular weight of 396.51 g/mol. Its IUPAC name is ethyl 1-[3-(diethylsulfamoyl)benzoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(diethylsulfamoyl)benzoyl]piperidine-3-carboxylate
PubChem CID46684274
Molecular FormulaC19H28N2O5S
Molecular Weight396.51 g/mol
Exact Mass396.17
IUPAC Nameethyl 1-[3-(diethylsulfamoyl)benzoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)C1
InChIInChI=1S/C19H28N2O5S/c1-4-21(5-2)27(24,25)17-11-7-9-15(13-17)18(22)20-12-8-10-16(14-20)19(23)26-6-3/h7,9,11,13,16H,4-6,8,10,12,14H2,1-3H3
InChIKeyQMWFCZSZGJBCLV-UHFFFAOYSA-N
XLogP2.13
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(3-chlorosulfonylbenzoyl)piperidine-3-carboxylate
CID 110823502
N,N-diethyl-3-(3-pyrrolidin-1-ylpiperidine-1-carbonyl)benzenesulfonamide
CID 60559058
3-[(3R)-3-(ethoxymethyl)piperidine-1-carbonyl]-N,N-diethylbenzenesulfonamide
CID 95378592
3-[(3S)-3-(ethoxymethyl)piperidine-1-carbonyl]-N,N-diethylbenzenesulfonamide
CID 95378591
ethyl 1-[3-[benzyl-(2-methoxyphenyl)sulfamoyl]benzoyl]piperidine-3-carboxylate
CID 24981827
ethyl (3S)-1-[3-[benzyl-(2-methoxyphenyl)sulfamoyl]benzoyl]piperidine-3-carboxylate
CID 93472681
N-(4-chlorophenyl)-1-[3-(diethylsulfamoyl)benzoyl]piperidine-3-carboxamide
CID 71681722
ethyl (3S)-1-[3-(methanesulfonamido)benzoyl]piperidine-3-carboxylate
CID 31469286
ethyl (3R)-1-(3-nitrobenzoyl)piperidine-3-carboxylate
CID 7037159
ethyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-3-carboxylate
CID 47005233
N,N-diethyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119396973
ethyl (3S)-1-(naphthalene-2-carbonyl)piperidine-3-carboxylate
CID 26710230

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(diethylsulfamoyl)benzoyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[3-(diethylsulfamoyl)benzoyl]piperidine-3-carboxylate (CID 46684274) is ethyl 1-[3-(diethylsulfamoyl)benzoyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[3-(diethylsulfamoyl)benzoyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[3-(diethylsulfamoyl)benzoyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)C1.
What is the InChIKey of ethyl 1-[3-(diethylsulfamoyl)benzoyl]piperidine-3-carboxylate?
The InChIKey is QMWFCZSZGJBCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5S/c1-4-21(5-2)27(24,25)17-11-7-9-15(13-17)18(22)20-12-8-10-16(14-20)19(23)26-6-3/h7,9,11,13,16H,4-6,8,10,12,14H2,1-3H3.
What are the key properties of ethyl 1-[3-(diethylsulfamoyl)benzoyl]piperidine-3-carboxylate?
ethyl 1-[3-(diethylsulfamoyl)benzoyl]piperidine-3-carboxylate has a molecular weight of 396.51 g/mol, XLogP of 2.13, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-(diethylsulfamoyl)benzoyl]piperidine-3-carboxylate is sourced from PubChem (CID 46684274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).