tert-butyl 4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]piperidine-1-carboxylate

C18H26N2O4S — CID 55985864

IUPACtert-butyl 4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)CCC(=O)c2cccs2)CC1
InChIInChI=1S/C18H26N2O4S/c1-18(2,3)24-17(23)20-10-8-13(9-11-20)19-16(22)7-6-14(21)15-5-4-12-25-15/h4-5,12-13H,6-11H2,1-3H3,(H,19,22)
InChIKeyRKULVVMXLULMRN-UHFFFAOYSA-N
MW366.48 g/mol
LogP3.23
Rot. Bonds5

About tert-butyl 4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]piperidine-1-carboxylate

tert-butyl 4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]piperidine-1-carboxylate (PubChem CID 55985864) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is tert-butyl 4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]piperidine-1-carboxylate
PubChem CID55985864
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC Nametert-butyl 4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)CCC(=O)c2cccs2)CC1
InChIInChI=1S/C18H26N2O4S/c1-18(2,3)24-17(23)20-10-8-13(9-11-20)19-16(22)7-6-14(21)15-5-4-12-25-15/h4-5,12-13H,6-11H2,1-3H3,(H,19,22)
InChIKeyRKULVVMXLULMRN-UHFFFAOYSA-N
XLogP3.23
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[[(2-oxo-2-thiophen-2-ylethyl)amino]methyl]piperidine-1-carboxylate
CID 71630218
tert-butyl 3-(thiophene-2-carbonylamino)pyrrolidine-1-carboxylate
CID 71629640
tert-butyl 4-[(thiophene-2-carbonylamino)methyl]piperidine-1-carboxylate
CID 2810469
tert-butyl 4-(thiophen-2-ylmethylamino)piperidine-1-carboxylate
CID 43652164
tert-butyl 4-[(2-thiophen-3-ylacetyl)amino]piperidine-1-carboxylate
CID 71629850
tert-butyl 3-[(2-oxo-2-thiophen-2-ylethoxy)methyl]pyrrolidine-1-carboxylate
CID 71630347
4-cyclobutyl-N-[1-(4-oxo-4-thiophen-2-ylbutanoyl)pyrrolidin-3-yl]butanamide
CID 167863555
tert-butyl 4-(3,3-diphenylpropanoylamino)piperidine-1-carboxylate
CID 52731291
methyl 4-(3-thiophen-2-ylpropanoylamino)piperidine-1-carboxylate
CID 110821759
tert-butyl 4-[3-(4-methoxyphenyl)propanoylamino]piperidine-1-carboxylate
CID 51124373
methyl 4-(4-oxo-4-thiophen-2-ylbutanoyl)piperazine-1-carboxylate
CID 110346802
tert-butyl (3R)-3-(thiophen-2-ylmethylcarbamoylamino)pyrrolidine-1-carboxylate
CID 95765272

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]piperidine-1-carboxylate (CID 55985864) is tert-butyl 4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NC(=O)CCC(=O)c2cccs2)CC1.
What is the InChIKey of tert-butyl 4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]piperidine-1-carboxylate?
The InChIKey is RKULVVMXLULMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-18(2,3)24-17(23)20-10-8-13(9-11-20)19-16(22)7-6-14(21)15-5-4-12-25-15/h4-5,12-13H,6-11H2,1-3H3,(H,19,22).
What are the key properties of tert-butyl 4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]piperidine-1-carboxylate?
tert-butyl 4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]piperidine-1-carboxylate has a molecular weight of 366.48 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 55985864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).