tert-butyl 4-[(5-methoxycarbonylthiophen-2-yl)carbamoylamino]piperidine-1-carboxylate

C17H25N3O5S — CID 25071103

IUPACtert-butyl 4-[(5-methoxycarbonylthiophen-2-yl)carbamoylamino]piperidine-1-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)s1
InChIInChI=1S/C17H25N3O5S/c1-17(2,3)25-16(23)20-9-7-11(8-10-20)18-15(22)19-13-6-5-12(26-13)14(21)24-4/h5-6,11H,7-10H2,1-4H3,(H2,18,19,22)
InChIKeyUMAKBXVXVVDSKK-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.06
Rot. Bonds3

About tert-butyl 4-[(5-methoxycarbonylthiophen-2-yl)carbamoylamino]piperidine-1-carboxylate

tert-butyl 4-[(5-methoxycarbonylthiophen-2-yl)carbamoylamino]piperidine-1-carboxylate (PubChem CID 25071103) has the molecular formula C17H25N3O5S and a molecular weight of 383.47 g/mol. Its IUPAC name is tert-butyl 4-[(5-methoxycarbonylthiophen-2-yl)carbamoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(5-methoxycarbonylthiophen-2-yl)carbamoylamino]piperidine-1-carboxylate
PubChem CID25071103
Molecular FormulaC17H25N3O5S
Molecular Weight383.47 g/mol
Exact Mass383.15
IUPAC Nametert-butyl 4-[(5-methoxycarbonylthiophen-2-yl)carbamoylamino]piperidine-1-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)s1
InChIInChI=1S/C17H25N3O5S/c1-17(2,3)25-16(23)20-9-7-11(8-10-20)18-15(22)19-13-6-5-12(26-13)14(21)24-4/h5-6,11H,7-10H2,1-4H3,(H2,18,19,22)
InChIKeyUMAKBXVXVVDSKK-UHFFFAOYSA-N
XLogP3.06
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 4-[(2-methoxycarbonyl-5-methylthiophen-3-yl)carbamoylamino]piperidine-1-carboxylate
CID 123924655
tert-butyl 4-[(5-bromo-2-methoxycarbonylthiophen-3-yl)carbamoylamino]piperidine-1-carboxylate
CID 67258128
tert-butyl 4-[(2-methyl-1,3-benzothiazol-6-yl)carbamoylamino]piperidine-1-carboxylate
CID 25070782
tert-butyl 4-(benzoylcarbamoylamino)piperidine-1-carboxylate
CID 58602980
tert-butyl 4-[(4-fluorosulfonyloxyphenyl)carbamoylamino]piperidine-1-carboxylate
CID 118561851
tert-butyl 4-[[4-[difluoro(phosphanyl)methoxy]phenyl]carbamoylamino]piperidine-1-carboxylate
CID 178000564
tert-butyl 4-[2-[2-[(5-methoxycarbonylthiophen-2-yl)methylamino]phenyl]ethylamino]piperidine-1-carboxylate
CID 69108223
tert-butyl 4-[[2-(4-methylphenyl)-2-oxoacetyl]amino]piperidine-1-carboxylate
CID 51093785
tert-butyl 4-[(4-methylphenyl)methylcarbamoylamino]piperidine-1-carboxylate
CID 108899188
tert-butyl 4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]piperidine-1-carboxylate
CID 55985864
tert-butyl 4-(ethenylcarbamoylamino)piperidine-1-carboxylate
CID 108909382
tert-butyl 4-[(2-thiophen-3-ylacetyl)amino]piperidine-1-carboxylate
CID 71629850

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(5-methoxycarbonylthiophen-2-yl)carbamoylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(5-methoxycarbonylthiophen-2-yl)carbamoylamino]piperidine-1-carboxylate (CID 25071103) is tert-butyl 4-[(5-methoxycarbonylthiophen-2-yl)carbamoylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(5-methoxycarbonylthiophen-2-yl)carbamoylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(5-methoxycarbonylthiophen-2-yl)carbamoylamino]piperidine-1-carboxylate is COC(=O)c1ccc(NC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)s1.
What is the InChIKey of tert-butyl 4-[(5-methoxycarbonylthiophen-2-yl)carbamoylamino]piperidine-1-carboxylate?
The InChIKey is UMAKBXVXVVDSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O5S/c1-17(2,3)25-16(23)20-9-7-11(8-10-20)18-15(22)19-13-6-5-12(26-13)14(21)24-4/h5-6,11H,7-10H2,1-4H3,(H2,18,19,22).
What are the key properties of tert-butyl 4-[(5-methoxycarbonylthiophen-2-yl)carbamoylamino]piperidine-1-carboxylate?
tert-butyl 4-[(5-methoxycarbonylthiophen-2-yl)carbamoylamino]piperidine-1-carboxylate has a molecular weight of 383.47 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(5-methoxycarbonylthiophen-2-yl)carbamoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 25071103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).