ethyl 4-[2-(thiophene-2-carbonylamino)ethylamino]piperidine-1-carboxylate

C15H23N3O3S — CID 647412

IUPACethyl 4-[2-(thiophene-2-carbonylamino)ethylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCCNC(=O)c2cccs2)CC1
InChIInChI=1S/C15H23N3O3S/c1-2-21-15(20)18-9-5-12(6-10-18)16-7-8-17-14(19)13-4-3-11-22-13/h3-4,11-12,16H,2,5-10H2,1H3,(H,17,19)
InChIKeyRDAMITSUPFEENV-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.69
Rot. Bonds6

About ethyl 4-[2-(thiophene-2-carbonylamino)ethylamino]piperidine-1-carboxylate

ethyl 4-[2-(thiophene-2-carbonylamino)ethylamino]piperidine-1-carboxylate (PubChem CID 647412) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is ethyl 4-[2-(thiophene-2-carbonylamino)ethylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(thiophene-2-carbonylamino)ethylamino]piperidine-1-carboxylate
PubChem CID647412
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Nameethyl 4-[2-(thiophene-2-carbonylamino)ethylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCCNC(=O)c2cccs2)CC1
InChIInChI=1S/C15H23N3O3S/c1-2-21-15(20)18-9-5-12(6-10-18)16-7-8-17-14(19)13-4-3-11-22-13/h3-4,11-12,16H,2,5-10H2,1H3,(H,17,19)
InChIKeyRDAMITSUPFEENV-UHFFFAOYSA-N
XLogP1.69
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethyl 4-[2-(thiophene-2-carbonylamino)ethylamino]piperidine-1-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 4-[2-(thiophene-2-carbonylamino)ethylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(thiophene-2-carbonylamino)ethylamino]piperidine-1-carboxylate (CID 647412) is ethyl 4-[2-(thiophene-2-carbonylamino)ethylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(thiophene-2-carbonylamino)ethylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(thiophene-2-carbonylamino)ethylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NCCNC(=O)c2cccs2)CC1.
What is the InChIKey of ethyl 4-[2-(thiophene-2-carbonylamino)ethylamino]piperidine-1-carboxylate?
The InChIKey is RDAMITSUPFEENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-2-21-15(20)18-9-5-12(6-10-18)16-7-8-17-14(19)13-4-3-11-22-13/h3-4,11-12,16H,2,5-10H2,1H3,(H,17,19).
What are the key properties of ethyl 4-[2-(thiophene-2-carbonylamino)ethylamino]piperidine-1-carboxylate?
ethyl 4-[2-(thiophene-2-carbonylamino)ethylamino]piperidine-1-carboxylate has a molecular weight of 325.43 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(thiophene-2-carbonylamino)ethylamino]piperidine-1-carboxylate is sourced from PubChem (CID 647412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).