tert-butyl 3-[[2-(furan-2-yl)-2-oxoethoxy]methyl]piperidine-1-carboxylate

C17H25NO5 — CID 71631225

IUPACtert-butyl 3-[[2-(furan-2-yl)-2-oxoethoxy]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(COCC(=O)c2ccco2)C1
InChIInChI=1S/C17H25NO5/c1-17(2,3)23-16(20)18-8-4-6-13(10-18)11-21-12-14(19)15-7-5-9-22-15/h5,7,9,13H,4,6,8,10-12H2,1-3H3
InChIKeyQEIZVCYMYJMHLY-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.13
Rot. Bonds5

About tert-butyl 3-[[2-(furan-2-yl)-2-oxoethoxy]methyl]piperidine-1-carboxylate

tert-butyl 3-[[2-(furan-2-yl)-2-oxoethoxy]methyl]piperidine-1-carboxylate (PubChem CID 71631225) has the molecular formula C17H25NO5 and a molecular weight of 323.39 g/mol. Its IUPAC name is tert-butyl 3-[[2-(furan-2-yl)-2-oxoethoxy]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[2-(furan-2-yl)-2-oxoethoxy]methyl]piperidine-1-carboxylate
PubChem CID71631225
Molecular FormulaC17H25NO5
Molecular Weight323.39 g/mol
Exact Mass323.17
IUPAC Nametert-butyl 3-[[2-(furan-2-yl)-2-oxoethoxy]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(COCC(=O)c2ccco2)C1
InChIInChI=1S/C17H25NO5/c1-17(2,3)23-16(20)18-8-4-6-13(10-18)11-21-12-14(19)15-7-5-9-22-15/h5,7,9,13H,4,6,8,10-12H2,1-3H3
InChIKeyQEIZVCYMYJMHLY-UHFFFAOYSA-N
XLogP3.13
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 3-[[2-(furan-2-yl)-2-oxoethoxy]methyl]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (3S)-3-[[[2-(furan-2-yl)-2-oxoethyl]-methylamino]methyl]piperidine-1-carboxylate
CID 97167353
tert-butyl (3S)-3-[2-(furan-2-yl)-2-oxoethoxy]pyrrolidine-1-carboxylate
CID 71629342
tert-butyl (3R)-3-[[[2-(furan-2-yl)-2-oxoethyl]amino]methyl]pyrrolidine-1-carboxylate
CID 97171234
tert-butyl (3S)-3-(prop-2-enoxymethyl)piperidine-1-carboxylate
CID 89323533
tert-butyl (3R)-3-(phenoxymethyl)piperidine-1-carboxylate
CID 68644853
tert-butyl 3-[[[2-(furan-2-yl)-2-hydroxyethyl]amino]methyl]piperidine-1-carboxylate
CID 111579071
tert-butyl (3R)-3-[(2-oxo-2-pyridin-2-ylethoxy)methyl]pyrrolidine-1-carboxylate
CID 97171364
tert-butyl 3-[(2-oxo-2-thiophen-2-ylethoxy)methyl]pyrrolidine-1-carboxylate
CID 71630347
tert-butyl (3S)-3-[(6-bromo-3-pyridinyl)methoxymethyl]piperidine-1-carboxylate
CID 97172458
tert-butyl (3R)-3-[(6-bromo-3-pyridinyl)methoxymethyl]piperidine-1-carboxylate
CID 97172459
tert-butyl 3-[(2-methylpropan-2-yl)oxymethyl]piperidine-1-carboxylate
CID 118163740
tert-butyl 3-[[4-(furan-2-yl)anilino]methyl]piperidine-1-carboxylate
CID 168526338

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[2-(furan-2-yl)-2-oxoethoxy]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[2-(furan-2-yl)-2-oxoethoxy]methyl]piperidine-1-carboxylate (CID 71631225) is tert-butyl 3-[[2-(furan-2-yl)-2-oxoethoxy]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[2-(furan-2-yl)-2-oxoethoxy]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[2-(furan-2-yl)-2-oxoethoxy]methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(COCC(=O)c2ccco2)C1.
What is the InChIKey of tert-butyl 3-[[2-(furan-2-yl)-2-oxoethoxy]methyl]piperidine-1-carboxylate?
The InChIKey is QEIZVCYMYJMHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO5/c1-17(2,3)23-16(20)18-8-4-6-13(10-18)11-21-12-14(19)15-7-5-9-22-15/h5,7,9,13H,4,6,8,10-12H2,1-3H3.
What are the key properties of tert-butyl 3-[[2-(furan-2-yl)-2-oxoethoxy]methyl]piperidine-1-carboxylate?
tert-butyl 3-[[2-(furan-2-yl)-2-oxoethoxy]methyl]piperidine-1-carboxylate has a molecular weight of 323.39 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[2-(furan-2-yl)-2-oxoethoxy]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 71631225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).