diethyl 5-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate

C23H26N2O6S — CID 46563548

IUPACdiethyl 5-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate
SMILESCCOC(=O)c1cc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)cc(C(=O)OCC)c1
InChIInChI=1S/C23H26N2O6S/c1-3-30-22(28)16-12-17(23(29)31-4-2)14-18(13-16)24-20(26)15-7-9-25(10-8-15)21(27)19-6-5-11-32-19/h5-6,11-15H,3-4,7-10H2,1-2H3,(H,24,26)
InChIKeyONHSTDCJXYXWCB-UHFFFAOYSA-N
MW458.54 g/mol
LogP3.59
Rot. Bonds7

About diethyl 5-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate

diethyl 5-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate (PubChem CID 46563548) has the molecular formula C23H26N2O6S and a molecular weight of 458.54 g/mol. Its IUPAC name is diethyl 5-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namediethyl 5-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate
PubChem CID46563548
Molecular FormulaC23H26N2O6S
Molecular Weight458.54 g/mol
Exact Mass458.15
IUPAC Namediethyl 5-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate
SMILESCCOC(=O)c1cc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)cc(C(=O)OCC)c1
InChIInChI=1S/C23H26N2O6S/c1-3-30-22(28)16-12-17(23(29)31-4-2)14-18(13-16)24-20(26)15-7-9-25(10-8-15)21(27)19-6-5-11-32-19/h5-6,11-15H,3-4,7-10H2,1-2H3,(H,24,26)
InChIKeyONHSTDCJXYXWCB-UHFFFAOYSA-N
XLogP3.59
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

diethyl 5-[[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]benzene-1,3-dicarboxylate
CID 43009712
N-ethoxy-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 18169040
ethyl 2-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]benzoate
CID 17224095
ethyl 5-methyl-1-[3-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]phenyl]pyrazole-4-carboxylate
CID 38606848
N-phenyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075464
N-[3,5-bis(trifluoromethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 27844264
1-(thiophene-2-carbonyl)-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide
CID 31520919
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 31857710
diethyl 5-[[1-(2,2,2-trifluoroethoxycarbonyl)piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate
CID 46563536
N-propyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224083
N-(6-methoxy-3-pyridinyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17453330
N-(3-chloro-4-fluorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075518

Frequently Asked Questions

What is the IUPAC name of diethyl 5-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate?
The IUPAC name of diethyl 5-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate (CID 46563548) is diethyl 5-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate.
What is the SMILES notation for diethyl 5-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate?
The canonical SMILES for diethyl 5-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate is CCOC(=O)c1cc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)cc(C(=O)OCC)c1.
What is the InChIKey of diethyl 5-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate?
The InChIKey is ONHSTDCJXYXWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O6S/c1-3-30-22(28)16-12-17(23(29)31-4-2)14-18(13-16)24-20(26)15-7-9-25(10-8-15)21(27)19-6-5-11-32-19/h5-6,11-15H,3-4,7-10H2,1-2H3,(H,24,26).
What are the key properties of diethyl 5-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate?
diethyl 5-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate has a molecular weight of 458.54 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 5-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate is sourced from PubChem (CID 46563548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).