tert-butyl 4-[(2-thiophen-3-ylacetyl)amino]piperidine-1-carboxylate

C16H24N2O3S — CID 71629850

IUPACtert-butyl 4-[(2-thiophen-3-ylacetyl)amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)Cc2ccsc2)CC1
InChIInChI=1S/C16H24N2O3S/c1-16(2,3)21-15(20)18-7-4-13(5-8-18)17-14(19)10-12-6-9-22-11-12/h6,9,11,13H,4-5,7-8,10H2,1-3H3,(H,17,19)
InChIKeyORHJBEVNJHBUAV-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.81
Rot. Bonds3

About tert-butyl 4-[(2-thiophen-3-ylacetyl)amino]piperidine-1-carboxylate

tert-butyl 4-[(2-thiophen-3-ylacetyl)amino]piperidine-1-carboxylate (PubChem CID 71629850) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is tert-butyl 4-[(2-thiophen-3-ylacetyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(2-thiophen-3-ylacetyl)amino]piperidine-1-carboxylate
PubChem CID71629850
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Nametert-butyl 4-[(2-thiophen-3-ylacetyl)amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)Cc2ccsc2)CC1
InChIInChI=1S/C16H24N2O3S/c1-16(2,3)21-15(20)18-7-4-13(5-8-18)17-14(19)10-12-6-9-22-11-12/h6,9,11,13H,4-5,7-8,10H2,1-3H3,(H,17,19)
InChIKeyORHJBEVNJHBUAV-UHFFFAOYSA-N
XLogP2.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[(thiophen-3-ylmethylamino)methyl]piperidine-1-carboxylate
CID 78915930
N-[4-(methylamino)cyclohexyl]-2-thiophen-3-ylacetamide
CID 79111056
tert-butyl 4-thiophen-3-ylpiperidine-1-carboxylate
CID 53426264
tert-butyl (3S)-3-methyl-4-(2-thiophen-3-ylacetyl)piperazine-1-carboxylate
CID 97176946
tert-butyl 4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]piperidine-1-carboxylate
CID 55985864
tert-butyl 4-[[2-(3-ethenylphenyl)acetyl]amino]piperidine-1-carboxylate
CID 172648383
tert-butyl 4-[[[N-ethyl-N'-(thiophen-3-ylmethyl)carbamimidoyl]amino]methyl]piperidine-1-carboxylate;hydroiodide
CID 111940350
tert-butyl 4-(3,3-diphenylpropanoylamino)piperidine-1-carboxylate
CID 52731291
tert-butyl 4-(4-thiophen-3-ylbutyl)piperazine-1-carboxylate
CID 112717934
tert-butyl N-methyl-N-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]carbamate
CID 71647148
tert-butyl 4-[3-(4-methoxyphenyl)propanoylamino]piperidine-1-carboxylate
CID 51124373
tert-butyl 4-[[2-(thietan-3-yl)acetyl]amino]piperidine-1-carboxylate
CID 126824092

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2-thiophen-3-ylacetyl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(2-thiophen-3-ylacetyl)amino]piperidine-1-carboxylate (CID 71629850) is tert-butyl 4-[(2-thiophen-3-ylacetyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(2-thiophen-3-ylacetyl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(2-thiophen-3-ylacetyl)amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NC(=O)Cc2ccsc2)CC1.
What is the InChIKey of tert-butyl 4-[(2-thiophen-3-ylacetyl)amino]piperidine-1-carboxylate?
The InChIKey is ORHJBEVNJHBUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-16(2,3)21-15(20)18-7-4-13(5-8-18)17-14(19)10-12-6-9-22-11-12/h6,9,11,13H,4-5,7-8,10H2,1-3H3,(H,17,19).
What are the key properties of tert-butyl 4-[(2-thiophen-3-ylacetyl)amino]piperidine-1-carboxylate?
tert-butyl 4-[(2-thiophen-3-ylacetyl)amino]piperidine-1-carboxylate has a molecular weight of 324.45 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2-thiophen-3-ylacetyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 71629850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).