tert-butyl N-[[1-(5-ethylfuran-2-carbonyl)piperidin-3-yl]methyl]-N-methylcarbamate

C19H30N2O4 — CID 47796215

IUPACtert-butyl N-[[1-(5-ethylfuran-2-carbonyl)piperidin-3-yl]methyl]-N-methylcarbamate
SMILESCCc1ccc(C(=O)N2CCCC(CN(C)C(=O)OC(C)(C)C)C2)o1
InChIInChI=1S/C19H30N2O4/c1-6-15-9-10-16(24-15)17(22)21-11-7-8-14(13-21)12-20(5)18(23)25-19(2,3)4/h9-10,14H,6-8,11-13H2,1-5H3
InChIKeySTQCARLPQUXQTG-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.56
Rot. Bonds4

About tert-butyl N-[[1-(5-ethylfuran-2-carbonyl)piperidin-3-yl]methyl]-N-methylcarbamate

tert-butyl N-[[1-(5-ethylfuran-2-carbonyl)piperidin-3-yl]methyl]-N-methylcarbamate (PubChem CID 47796215) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is tert-butyl N-[[1-(5-ethylfuran-2-carbonyl)piperidin-3-yl]methyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-(5-ethylfuran-2-carbonyl)piperidin-3-yl]methyl]-N-methylcarbamate
PubChem CID47796215
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC Nametert-butyl N-[[1-(5-ethylfuran-2-carbonyl)piperidin-3-yl]methyl]-N-methylcarbamate
SMILESCCc1ccc(C(=O)N2CCCC(CN(C)C(=O)OC(C)(C)C)C2)o1
InChIInChI=1S/C19H30N2O4/c1-6-15-9-10-16(24-15)17(22)21-11-7-8-14(13-21)12-20(5)18(23)25-19(2,3)4/h9-10,14H,6-8,11-13H2,1-5H3
InChIKeySTQCARLPQUXQTG-UHFFFAOYSA-N
XLogP3.56
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-(5-ethylfuran-2-carbonyl)piperidin-3-yl]methyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[[1-(5-ethylfuran-2-carbonyl)piperidin-3-yl]methyl]-N-methylcarbamate (CID 47796215) is tert-butyl N-[[1-(5-ethylfuran-2-carbonyl)piperidin-3-yl]methyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[[1-(5-ethylfuran-2-carbonyl)piperidin-3-yl]methyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[[1-(5-ethylfuran-2-carbonyl)piperidin-3-yl]methyl]-N-methylcarbamate is CCc1ccc(C(=O)N2CCCC(CN(C)C(=O)OC(C)(C)C)C2)o1.
What is the InChIKey of tert-butyl N-[[1-(5-ethylfuran-2-carbonyl)piperidin-3-yl]methyl]-N-methylcarbamate?
The InChIKey is STQCARLPQUXQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-6-15-9-10-16(24-15)17(22)21-11-7-8-14(13-21)12-20(5)18(23)25-19(2,3)4/h9-10,14H,6-8,11-13H2,1-5H3.
What are the key properties of tert-butyl N-[[1-(5-ethylfuran-2-carbonyl)piperidin-3-yl]methyl]-N-methylcarbamate?
tert-butyl N-[[1-(5-ethylfuran-2-carbonyl)piperidin-3-yl]methyl]-N-methylcarbamate has a molecular weight of 350.46 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-(5-ethylfuran-2-carbonyl)piperidin-3-yl]methyl]-N-methylcarbamate is sourced from PubChem (CID 47796215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).