ethyl 1-[3-oxo-3-(4-sulfamoylanilino)propyl]piperidine-4-carboxylate

C17H25N3O5S — CID 24588628

IUPACethyl 1-[3-oxo-3-(4-sulfamoylanilino)propyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C17H25N3O5S/c1-2-25-17(22)13-7-10-20(11-8-13)12-9-16(21)19-14-3-5-15(6-4-14)26(18,23)24/h3-6,13H,2,7-12H2,1H3,(H,19,21)(H2,18,23,24)
InChIKeyLXHYCOHPVTXVHQ-UHFFFAOYSA-N
MW383.47 g/mol
LogP0.94
Rot. Bonds7

About ethyl 1-[3-oxo-3-(4-sulfamoylanilino)propyl]piperidine-4-carboxylate

ethyl 1-[3-oxo-3-(4-sulfamoylanilino)propyl]piperidine-4-carboxylate (PubChem CID 24588628) has the molecular formula C17H25N3O5S and a molecular weight of 383.47 g/mol. Its IUPAC name is ethyl 1-[3-oxo-3-(4-sulfamoylanilino)propyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-oxo-3-(4-sulfamoylanilino)propyl]piperidine-4-carboxylate
PubChem CID24588628
Molecular FormulaC17H25N3O5S
Molecular Weight383.47 g/mol
Exact Mass383.15
IUPAC Nameethyl 1-[3-oxo-3-(4-sulfamoylanilino)propyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C17H25N3O5S/c1-2-25-17(22)13-7-10-20(11-8-13)12-9-16(21)19-14-3-5-15(6-4-14)26(18,23)24/h3-6,13H,2,7-12H2,1H3,(H,19,21)(H2,18,23,24)
InChIKeyLXHYCOHPVTXVHQ-UHFFFAOYSA-N
XLogP0.94
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-[3-oxo-3-(4-sulfamoylanilino)propyl]piperidine-3-carboxylate
CID 24588712
ethyl 1-[3-(4-chloroanilino)-3-oxopropyl]piperidine-4-carboxylate
CID 740109
ethyl 1-[3-(4-bromoanilino)-3-oxopropyl]piperidine-4-carboxylate
CID 1149589
3-(4-benzoylpiperidin-1-yl)-N-(4-sulfamoylphenyl)propanamide
CID 33215032
ethyl 1-[3-(3,4-difluoroanilino)-3-oxopropyl]piperidine-4-carboxylate
CID 739948
ethyl 1-[(4-sulfamoylphenyl)carbamothioyl]piperidine-4-carboxylate
CID 1213439
ethyl 1-[2-[4-(butanoylamino)anilino]-2-oxoethyl]piperidine-4-carboxylate
CID 54837939
N-benzyl-1-[3-oxo-3-(4-sulfamoylanilino)propyl]piperidine-4-carboxamide
CID 24589298
ethyl 1-[3-(3,5-dimethoxyanilino)-3-oxopropyl]piperidine-4-carboxylate;hydrochloride
CID 90483657
N-(5-chloro-2-pyridinyl)-1-[3-oxo-3-(4-sulfamoylanilino)propyl]piperidine-4-carboxamide
CID 55855975
N,N-dimethyl-4-[3-oxo-3-(4-sulfamoylanilino)propyl]piperazine-1-carboxamide
CID 55648530
1-[2-(4-methylanilino)-2-oxoethyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 16909772

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-oxo-3-(4-sulfamoylanilino)propyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[3-oxo-3-(4-sulfamoylanilino)propyl]piperidine-4-carboxylate (CID 24588628) is ethyl 1-[3-oxo-3-(4-sulfamoylanilino)propyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[3-oxo-3-(4-sulfamoylanilino)propyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[3-oxo-3-(4-sulfamoylanilino)propyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1.
What is the InChIKey of ethyl 1-[3-oxo-3-(4-sulfamoylanilino)propyl]piperidine-4-carboxylate?
The InChIKey is LXHYCOHPVTXVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O5S/c1-2-25-17(22)13-7-10-20(11-8-13)12-9-16(21)19-14-3-5-15(6-4-14)26(18,23)24/h3-6,13H,2,7-12H2,1H3,(H,19,21)(H2,18,23,24).
What are the key properties of ethyl 1-[3-oxo-3-(4-sulfamoylanilino)propyl]piperidine-4-carboxylate?
ethyl 1-[3-oxo-3-(4-sulfamoylanilino)propyl]piperidine-4-carboxylate has a molecular weight of 383.47 g/mol, XLogP of 0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-oxo-3-(4-sulfamoylanilino)propyl]piperidine-4-carboxylate is sourced from PubChem (CID 24588628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).