ethyl 1-[2-[3-(thiophene-3-carbonylamino)propanoyloxy]propanoyl]piperidine-4-carboxylate

C19H26N2O6S — CID 55375253

IUPACethyl 1-[2-[3-(thiophene-3-carbonylamino)propanoyloxy]propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(C)OC(=O)CCNC(=O)c2ccsc2)CC1
InChIInChI=1S/C19H26N2O6S/c1-3-26-19(25)14-5-9-21(10-6-14)18(24)13(2)27-16(22)4-8-20-17(23)15-7-11-28-12-15/h7,11-14H,3-6,8-10H2,1-2H3,(H,20,23)
InChIKeyKHZXYOULVMXEGQ-UHFFFAOYSA-N
MW410.49 g/mol
LogP1.60
Rot. Bonds8

About ethyl 1-[2-[3-(thiophene-3-carbonylamino)propanoyloxy]propanoyl]piperidine-4-carboxylate

ethyl 1-[2-[3-(thiophene-3-carbonylamino)propanoyloxy]propanoyl]piperidine-4-carboxylate (PubChem CID 55375253) has the molecular formula C19H26N2O6S and a molecular weight of 410.49 g/mol. Its IUPAC name is ethyl 1-[2-[3-(thiophene-3-carbonylamino)propanoyloxy]propanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[3-(thiophene-3-carbonylamino)propanoyloxy]propanoyl]piperidine-4-carboxylate
PubChem CID55375253
Molecular FormulaC19H26N2O6S
Molecular Weight410.49 g/mol
Exact Mass410.15
IUPAC Nameethyl 1-[2-[3-(thiophene-3-carbonylamino)propanoyloxy]propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(C)OC(=O)CCNC(=O)c2ccsc2)CC1
InChIInChI=1S/C19H26N2O6S/c1-3-26-19(25)14-5-9-21(10-6-14)18(24)13(2)27-16(22)4-8-20-17(23)15-7-11-28-12-15/h7,11-14H,3-6,8-10H2,1-2H3,(H,20,23)
InChIKeyKHZXYOULVMXEGQ-UHFFFAOYSA-N
XLogP1.60
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 1-[2-[3-(thiophene-3-carbonylamino)propanoyloxy]propanoyl]piperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[3-(thiophene-3-carbonylamino)propanoyloxy]propanoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[3-(thiophene-3-carbonylamino)propanoyloxy]propanoyl]piperidine-4-carboxylate (CID 55375253) is ethyl 1-[2-[3-(thiophene-3-carbonylamino)propanoyloxy]propanoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[3-(thiophene-3-carbonylamino)propanoyloxy]propanoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[3-(thiophene-3-carbonylamino)propanoyloxy]propanoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)C(C)OC(=O)CCNC(=O)c2ccsc2)CC1.
What is the InChIKey of ethyl 1-[2-[3-(thiophene-3-carbonylamino)propanoyloxy]propanoyl]piperidine-4-carboxylate?
The InChIKey is KHZXYOULVMXEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O6S/c1-3-26-19(25)14-5-9-21(10-6-14)18(24)13(2)27-16(22)4-8-20-17(23)15-7-11-28-12-15/h7,11-14H,3-6,8-10H2,1-2H3,(H,20,23).
What are the key properties of ethyl 1-[2-[3-(thiophene-3-carbonylamino)propanoyloxy]propanoyl]piperidine-4-carboxylate?
ethyl 1-[2-[3-(thiophene-3-carbonylamino)propanoyloxy]propanoyl]piperidine-4-carboxylate has a molecular weight of 410.49 g/mol, XLogP of 1.60, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[3-(thiophene-3-carbonylamino)propanoyloxy]propanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 55375253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).