methyl 3-[[ethyl(piperidin-4-yl)amino]methyl]furan-2-carboxylate

C14H22N2O3 — CID 60806955

IUPACmethyl 3-[[ethyl(piperidin-4-yl)amino]methyl]furan-2-carboxylate
SMILESCCN(Cc1ccoc1C(=O)OC)C1CCNCC1
InChIInChI=1S/C14H22N2O3/c1-3-16(12-4-7-15-8-5-12)10-11-6-9-19-13(11)14(17)18-2/h6,9,12,15H,3-5,7-8,10H2,1-2H3
InChIKeyMYGNAQOPEMCBMV-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.64
Rot. Bonds5

About methyl 3-[[ethyl(piperidin-4-yl)amino]methyl]furan-2-carboxylate

methyl 3-[[ethyl(piperidin-4-yl)amino]methyl]furan-2-carboxylate (PubChem CID 60806955) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is methyl 3-[[ethyl(piperidin-4-yl)amino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[ethyl(piperidin-4-yl)amino]methyl]furan-2-carboxylate
PubChem CID60806955
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Namemethyl 3-[[ethyl(piperidin-4-yl)amino]methyl]furan-2-carboxylate
SMILESCCN(Cc1ccoc1C(=O)OC)C1CCNCC1
InChIInChI=1S/C14H22N2O3/c1-3-16(12-4-7-15-8-5-12)10-11-6-9-19-13(11)14(17)18-2/h6,9,12,15H,3-5,7-8,10H2,1-2H3
InChIKeyMYGNAQOPEMCBMV-UHFFFAOYSA-N
XLogP1.64
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[ethyl(piperidin-4-yl)amino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 3-[[ethyl(piperidin-4-yl)amino]methyl]furan-2-carboxylate (CID 60806955) is methyl 3-[[ethyl(piperidin-4-yl)amino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 3-[[ethyl(piperidin-4-yl)amino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 3-[[ethyl(piperidin-4-yl)amino]methyl]furan-2-carboxylate is CCN(Cc1ccoc1C(=O)OC)C1CCNCC1.
What is the InChIKey of methyl 3-[[ethyl(piperidin-4-yl)amino]methyl]furan-2-carboxylate?
The InChIKey is MYGNAQOPEMCBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-3-16(12-4-7-15-8-5-12)10-11-6-9-19-13(11)14(17)18-2/h6,9,12,15H,3-5,7-8,10H2,1-2H3.
What are the key properties of methyl 3-[[ethyl(piperidin-4-yl)amino]methyl]furan-2-carboxylate?
methyl 3-[[ethyl(piperidin-4-yl)amino]methyl]furan-2-carboxylate has a molecular weight of 266.34 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[ethyl(piperidin-4-yl)amino]methyl]furan-2-carboxylate is sourced from PubChem (CID 60806955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).