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

C17H25N3O5S — CID 24588712

IUPACethyl 1-[3-oxo-3-(4-sulfamoylanilino)propyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1
InChIInChI=1S/C17H25N3O5S/c1-2-25-17(22)13-4-3-10-20(12-13)11-9-16(21)19-14-5-7-15(8-6-14)26(18,23)24/h5-8,13H,2-4,9-12H2,1H3,(H,19,21)(H2,18,23,24)
InChIKeyZDFVBSGWBAWLSE-UHFFFAOYSA-N
MW383.47 g/mol
LogP0.94
Rot. Bonds7

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

ethyl 1-[3-oxo-3-(4-sulfamoylanilino)propyl]piperidine-3-carboxylate (PubChem CID 24588712) 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-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-oxo-3-(4-sulfamoylanilino)propyl]piperidine-3-carboxylate
PubChem CID24588712
Molecular FormulaC17H25N3O5S
Molecular Weight383.47 g/mol
Exact Mass383.15
IUPAC Nameethyl 1-[3-oxo-3-(4-sulfamoylanilino)propyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1
InChIInChI=1S/C17H25N3O5S/c1-2-25-17(22)13-4-3-10-20(12-13)11-9-16(21)19-14-5-7-15(8-6-14)26(18,23)24/h5-8,13H,2-4,9-12H2,1H3,(H,19,21)(H2,18,23,24)
InChIKeyZDFVBSGWBAWLSE-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-4-carboxylate
CID 24588628
ethyl (3R)-1-[3-(4-chloroanilino)-3-oxopropyl]piperidine-3-carboxylate
CID 740099
ethyl 1-[3-(4-bromo-3-methylanilino)-3-oxopropyl]piperidine-3-carboxylate
CID 2902209
ethyl 1-[3-(4-bromo-3-methylanilino)-3-oxopropyl]piperidine-3-carboxylate chloride
CID 53351778
ethyl (3S)-1-[3-(3-methylanilino)-3-oxopropyl]piperidine-3-carboxylate
CID 739964
ethyl (3R)-1-[(4-sulfamoylphenyl)carbamothioyl]piperidine-3-carboxylate
CID 1289838
ethyl 1-[3-(3,5-dimethoxyanilino)-3-oxopropyl]piperidine-3-carboxylate;oxalic acid
CID 171154487
ethyl (3S)-1-[3-(2-chloroanilino)-3-oxopropyl]piperidine-3-carboxylate
CID 771185
ethyl 1-[3-(2-chloroanilino)-3-oxopropyl]piperidine-3-carboxylate
CID 2902079
ethyl 1-[3-(2-methylanilino)-3-oxopropyl]piperidine-3-carboxylate;oxalic acid
CID 171154477
ethyl (3R)-1-(4-sulfamoylphenyl)sulfonylpiperidine-3-carboxylate
CID 2198274
ethyl (3S)-1-[2-(4-acetylanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 8533005

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-oxo-3-(4-sulfamoylanilino)propyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[3-oxo-3-(4-sulfamoylanilino)propyl]piperidine-3-carboxylate (CID 24588712) is ethyl 1-[3-oxo-3-(4-sulfamoylanilino)propyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[3-oxo-3-(4-sulfamoylanilino)propyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[3-oxo-3-(4-sulfamoylanilino)propyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1.
What is the InChIKey of ethyl 1-[3-oxo-3-(4-sulfamoylanilino)propyl]piperidine-3-carboxylate?
The InChIKey is ZDFVBSGWBAWLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O5S/c1-2-25-17(22)13-4-3-10-20(12-13)11-9-16(21)19-14-5-7-15(8-6-14)26(18,23)24/h5-8,13H,2-4,9-12H2,1H3,(H,19,21)(H2,18,23,24).
What are the key properties of ethyl 1-[3-oxo-3-(4-sulfamoylanilino)propyl]piperidine-3-carboxylate?
ethyl 1-[3-oxo-3-(4-sulfamoylanilino)propyl]piperidine-3-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-3-carboxylate is sourced from PubChem (CID 24588712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).