tert-butyl 4-[(2-methoxycarbonylfuran-3-yl)methyl-methylamino]piperidine-1-carboxylate

C18H28N2O5 — CID 69372477

IUPACtert-butyl 4-[(2-methoxycarbonylfuran-3-yl)methyl-methylamino]piperidine-1-carboxylate
SMILESCOC(=O)c1occc1CN(C)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H28N2O5/c1-18(2,3)25-17(22)20-9-6-14(7-10-20)19(4)12-13-8-11-24-15(13)16(21)23-5/h8,11,14H,6-7,9-10,12H2,1-5H3
InChIKeySVGYXRVZBIKRAI-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.90
Rot. Bonds4

About tert-butyl 4-[(2-methoxycarbonylfuran-3-yl)methyl-methylamino]piperidine-1-carboxylate

tert-butyl 4-[(2-methoxycarbonylfuran-3-yl)methyl-methylamino]piperidine-1-carboxylate (PubChem CID 69372477) has the molecular formula C18H28N2O5 and a molecular weight of 352.43 g/mol. Its IUPAC name is tert-butyl 4-[(2-methoxycarbonylfuran-3-yl)methyl-methylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(2-methoxycarbonylfuran-3-yl)methyl-methylamino]piperidine-1-carboxylate
PubChem CID69372477
Molecular FormulaC18H28N2O5
Molecular Weight352.43 g/mol
Exact Mass352.20
IUPAC Nametert-butyl 4-[(2-methoxycarbonylfuran-3-yl)methyl-methylamino]piperidine-1-carboxylate
SMILESCOC(=O)c1occc1CN(C)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H28N2O5/c1-18(2,3)25-17(22)20-9-6-14(7-10-20)19(4)12-13-8-11-24-15(13)16(21)23-5/h8,11,14H,6-7,9-10,12H2,1-5H3
InChIKeySVGYXRVZBIKRAI-UHFFFAOYSA-N
XLogP2.90
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2-methoxycarbonylfuran-3-yl)methyl-methylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(2-methoxycarbonylfuran-3-yl)methyl-methylamino]piperidine-1-carboxylate (CID 69372477) is tert-butyl 4-[(2-methoxycarbonylfuran-3-yl)methyl-methylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(2-methoxycarbonylfuran-3-yl)methyl-methylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(2-methoxycarbonylfuran-3-yl)methyl-methylamino]piperidine-1-carboxylate is COC(=O)c1occc1CN(C)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[(2-methoxycarbonylfuran-3-yl)methyl-methylamino]piperidine-1-carboxylate?
The InChIKey is SVGYXRVZBIKRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O5/c1-18(2,3)25-17(22)20-9-6-14(7-10-20)19(4)12-13-8-11-24-15(13)16(21)23-5/h8,11,14H,6-7,9-10,12H2,1-5H3.
What are the key properties of tert-butyl 4-[(2-methoxycarbonylfuran-3-yl)methyl-methylamino]piperidine-1-carboxylate?
tert-butyl 4-[(2-methoxycarbonylfuran-3-yl)methyl-methylamino]piperidine-1-carboxylate has a molecular weight of 352.43 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2-methoxycarbonylfuran-3-yl)methyl-methylamino]piperidine-1-carboxylate is sourced from PubChem (CID 69372477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).