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

C15H23N3O4S — CID 31369313

IUPACethyl 4-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CCn2c(C)csc2=O)CC1
InChIInChI=1S/C15H23N3O4S/c1-3-22-14(20)17-7-4-12(5-8-17)16-13(19)6-9-18-11(2)10-23-15(18)21/h10,12H,3-9H2,1-2H3,(H,16,19)
InChIKeyBZMWROJNAOGNGV-UHFFFAOYSA-N
MW341.43 g/mol
LogP1.35
Rot. Bonds5

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

ethyl 4-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]piperidine-1-carboxylate (PubChem CID 31369313) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is ethyl 4-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]piperidine-1-carboxylate
PubChem CID31369313
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Nameethyl 4-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CCn2c(C)csc2=O)CC1
InChIInChI=1S/C15H23N3O4S/c1-3-22-14(20)17-7-4-12(5-8-17)16-13(19)6-9-18-11(2)10-23-15(18)21/h10,12H,3-9H2,1-2H3,(H,16,19)
InChIKeyBZMWROJNAOGNGV-UHFFFAOYSA-N
XLogP1.35
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]piperidine-1-carboxylate with MolForge

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Related Compounds

ethyl 4-[3-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]propanoylamino]piperidine-1-carboxylate
CID 98236396
ethyl 4-[3-(2-methyl-1,3-thiazol-4-yl)propanoylamino]piperidine-1-carboxylate
CID 110332728
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]propanamide
CID 35219978
N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 100851036
ethyl 4-[3-(cyclopropylamino)-3-oxopropyl]piperazine-1-carboxylate
CID 51077572
ethyl 4-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]piperidine-1-carboxylate
CID 31339684
ethyl 4-[3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoylamino]piperidine-1-carboxylate
CID 31844794
ethyl 4-[3-(4-methylphenyl)propanoylamino]piperidine-1-carboxylate
CID 24554705
ethyl 4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]piperidine-1-carboxylate
CID 47445179
ethyl 4-[3-(4-formylpiperazin-1-yl)propanoylamino]piperidine-1-carboxylate
CID 109017978
ethyl 4-[[2-[2-[(6-oxo-3H-pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetyl]amino]piperidine-1-carboxylate
CID 73339075
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]piperidine-1-carboxylate (CID 31369313) is ethyl 4-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)CCn2c(C)csc2=O)CC1.
What is the InChIKey of ethyl 4-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]piperidine-1-carboxylate?
The InChIKey is BZMWROJNAOGNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-3-22-14(20)17-7-4-12(5-8-17)16-13(19)6-9-18-11(2)10-23-15(18)21/h10,12H,3-9H2,1-2H3,(H,16,19).
What are the key properties of ethyl 4-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]piperidine-1-carboxylate?
ethyl 4-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]piperidine-1-carboxylate has a molecular weight of 341.43 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 31369313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).