tert-butyl 4-[(thiophene-2-carbonylamino)methyl]piperidine-1-carboxylate

C16H24N2O3S — CID 2810469

IUPACtert-butyl 4-[(thiophene-2-carbonylamino)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CNC(=O)c2cccs2)CC1
InChIInChI=1S/C16H24N2O3S/c1-16(2,3)21-15(20)18-8-6-12(7-9-18)11-17-14(19)13-5-4-10-22-13/h4-5,10,12H,6-9,11H2,1-3H3,(H,17,19)
InChIKeySBLGRDOGFHQFIB-UHFFFAOYSA-N
MW324.45 g/mol
LogP3.12
Rot. Bonds3

About tert-butyl 4-[(thiophene-2-carbonylamino)methyl]piperidine-1-carboxylate

tert-butyl 4-[(thiophene-2-carbonylamino)methyl]piperidine-1-carboxylate (PubChem CID 2810469) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is tert-butyl 4-[(thiophene-2-carbonylamino)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(thiophene-2-carbonylamino)methyl]piperidine-1-carboxylate
PubChem CID2810469
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Nametert-butyl 4-[(thiophene-2-carbonylamino)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CNC(=O)c2cccs2)CC1
InChIInChI=1S/C16H24N2O3S/c1-16(2,3)21-15(20)18-8-6-12(7-9-18)11-17-14(19)13-5-4-10-22-13/h4-5,10,12H,6-9,11H2,1-3H3,(H,17,19)
InChIKeySBLGRDOGFHQFIB-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[[(2-oxo-2-thiophen-2-ylethyl)amino]methyl]piperidine-1-carboxylate
CID 71630218
tert-butyl (2S)-2-[(thiophene-2-carbonylamino)methyl]pyrrolidine-1-carboxylate
CID 97172674
tert-butyl (2R)-2-[(thiophene-2-carbonylamino)methyl]pyrrolidine-1-carboxylate
CID 97172673
tert-butyl 4-[2-phenyl-2-(thiophene-2-carbonylamino)ethyl]piperidine-1-carboxylate
CID 137373194
N-[[1-(3-methoxypropanoyl)piperidin-4-yl]methyl]thiophene-2-carboxamide
CID 131947637
tert-butyl 3-(thiophene-2-carbonylamino)pyrrolidine-1-carboxylate
CID 71629640
tert-butyl 4-[(2-thiophen-2-ylethylamino)methyl]piperidine-1-carboxylate
CID 103730080
tert-butyl 4-[4-[(thiophene-2-carbonylamino)methyl]benzoyl]piperazine-1-carboxylate
CID 46492559
tert-butyl 4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]piperidine-1-carboxylate
CID 55985864
tert-butyl 4-[(1-thiophen-2-ylpropylamino)methyl]piperidine-1-carboxylate
CID 103730198
tert-butyl 4-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carboxylate
CID 2810466
tert-butyl 3-[(2-oxo-2-thiophen-2-ylethoxy)methyl]pyrrolidine-1-carboxylate
CID 71630347

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(thiophene-2-carbonylamino)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(thiophene-2-carbonylamino)methyl]piperidine-1-carboxylate (CID 2810469) is tert-butyl 4-[(thiophene-2-carbonylamino)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(thiophene-2-carbonylamino)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(thiophene-2-carbonylamino)methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CNC(=O)c2cccs2)CC1.
What is the InChIKey of tert-butyl 4-[(thiophene-2-carbonylamino)methyl]piperidine-1-carboxylate?
The InChIKey is SBLGRDOGFHQFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-16(2,3)21-15(20)18-8-6-12(7-9-18)11-17-14(19)13-5-4-10-22-13/h4-5,10,12H,6-9,11H2,1-3H3,(H,17,19).
What are the key properties of tert-butyl 4-[(thiophene-2-carbonylamino)methyl]piperidine-1-carboxylate?
tert-butyl 4-[(thiophene-2-carbonylamino)methyl]piperidine-1-carboxylate has a molecular weight of 324.45 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(thiophene-2-carbonylamino)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 2810469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).