methyl 3-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]furan-2-carboxylate

C16H26N2O3 — CID 43769638

IUPACmethyl 3-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CNC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C16H26N2O3/c1-15(2)8-12(9-16(3,4)18-15)17-10-11-6-7-21-13(11)14(19)20-5/h6-7,12,17-18H,8-10H2,1-5H3
InChIKeyYQGAEYXTGZVBKY-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.46
Rot. Bonds4

About methyl 3-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]furan-2-carboxylate

methyl 3-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]furan-2-carboxylate (PubChem CID 43769638) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is methyl 3-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]furan-2-carboxylate
PubChem CID43769638
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Namemethyl 3-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CNC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C16H26N2O3/c1-15(2)8-12(9-16(3,4)18-15)17-10-11-6-7-21-13(11)14(19)20-5/h6-7,12,17-18H,8-10H2,1-5H3
InChIKeyYQGAEYXTGZVBKY-UHFFFAOYSA-N
XLogP2.46
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]furan-2-carboxylate with MolForge

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Related Compounds

methyl 3-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]furan-2-carboxylate
CID 103965695
methyl 3-[[(3-hydroxycyclohexyl)amino]methyl]furan-2-carboxylate
CID 43792335
methyl 3-[[(3-methylcyclohexyl)amino]methyl]furan-2-carboxylate
CID 43775479
methyl 3-[[(3-methylsulfanylcyclopentyl)amino]methyl]furan-2-carboxylate
CID 113352461
methyl 3-[(cyclopentylmethylamino)methyl]furan-2-carboxylate
CID 43775570
methyl 3-[[(2-tert-butylcyclohexyl)amino]methyl]furan-2-carboxylate
CID 43435730
methyl 3-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]furan-2-carboxylate
CID 115924474
methyl 3-[(1-cyclopropylethylamino)methyl]furan-2-carboxylate
CID 43776577
methyl 3-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]furan-2-carboxylate
CID 43792626
N-[(4-methoxyphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine;oxalic acid
CID 17052859
methyl 3-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]furan-2-carboxylate
CID 105415506
methyl 3-[(1,3-dihydroxypropan-2-ylamino)methyl]furan-2-carboxylate
CID 65315678

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 3-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]furan-2-carboxylate (CID 43769638) is methyl 3-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 3-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 3-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]furan-2-carboxylate is COC(=O)c1occc1CNC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of methyl 3-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]furan-2-carboxylate?
The InChIKey is YQGAEYXTGZVBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-15(2)8-12(9-16(3,4)18-15)17-10-11-6-7-21-13(11)14(19)20-5/h6-7,12,17-18H,8-10H2,1-5H3.
What are the key properties of methyl 3-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]furan-2-carboxylate?
methyl 3-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]furan-2-carboxylate has a molecular weight of 294.39 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]furan-2-carboxylate is sourced from PubChem (CID 43769638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).