ethyl 1-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]piperidine-3-carboxylate

C19H23N3O3S — CID 6471461

IUPACethyl 1-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(CC(=O)Nc2nc(-c3ccccc3)cs2)C1
InChIInChI=1S/C19H23N3O3S/c1-2-25-18(24)15-9-6-10-22(11-15)12-17(23)21-19-20-16(13-26-19)14-7-4-3-5-8-14/h3-5,7-8,13,15H,2,6,9-12H2,1H3,(H,20,21,23)
InChIKeyOQILUCZKMMCJSH-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.02
Rot. Bonds6

About ethyl 1-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]piperidine-3-carboxylate

ethyl 1-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]piperidine-3-carboxylate (PubChem CID 6471461) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is ethyl 1-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]piperidine-3-carboxylate
PubChem CID6471461
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Nameethyl 1-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(CC(=O)Nc2nc(-c3ccccc3)cs2)C1
InChIInChI=1S/C19H23N3O3S/c1-2-25-18(24)15-9-6-10-22(11-15)12-17(23)21-19-20-16(13-26-19)14-7-4-3-5-8-14/h3-5,7-8,13,15H,2,6,9-12H2,1H3,(H,20,21,23)
InChIKeyOQILUCZKMMCJSH-UHFFFAOYSA-N
XLogP3.02
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]piperidine-3-carboxylate (CID 6471461) is ethyl 1-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(CC(=O)Nc2nc(-c3ccccc3)cs2)C1.
What is the InChIKey of ethyl 1-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]piperidine-3-carboxylate?
The InChIKey is OQILUCZKMMCJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-2-25-18(24)15-9-6-10-22(11-15)12-17(23)21-19-20-16(13-26-19)14-7-4-3-5-8-14/h3-5,7-8,13,15H,2,6,9-12H2,1H3,(H,20,21,23).
What are the key properties of ethyl 1-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]piperidine-3-carboxylate?
ethyl 1-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]piperidine-3-carboxylate has a molecular weight of 373.48 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]piperidine-3-carboxylate is sourced from PubChem (CID 6471461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).