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

C14H22N2O3 — CID 60807301

IUPACmethyl 2-[[ethyl(piperidin-4-yl)amino]methyl]furan-3-carboxylate
SMILESCCN(Cc1occc1C(=O)OC)C1CCNCC1
InChIInChI=1S/C14H22N2O3/c1-3-16(11-4-7-15-8-5-11)10-13-12(6-9-19-13)14(17)18-2/h6,9,11,15H,3-5,7-8,10H2,1-2H3
InChIKeyUEQUMZNEYOJGMY-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.64
Rot. Bonds5

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

methyl 2-[[ethyl(piperidin-4-yl)amino]methyl]furan-3-carboxylate (PubChem CID 60807301) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is methyl 2-[[ethyl(piperidin-4-yl)amino]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[ethyl(piperidin-4-yl)amino]methyl]furan-3-carboxylate
PubChem CID60807301
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Namemethyl 2-[[ethyl(piperidin-4-yl)amino]methyl]furan-3-carboxylate
SMILESCCN(Cc1occc1C(=O)OC)C1CCNCC1
InChIInChI=1S/C14H22N2O3/c1-3-16(11-4-7-15-8-5-11)10-13-12(6-9-19-13)14(17)18-2/h6,9,11,15H,3-5,7-8,10H2,1-2H3
InChIKeyUEQUMZNEYOJGMY-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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Related Compounds

methyl 3-[[ethyl(piperidin-4-yl)amino]methyl]furan-2-carboxylate
CID 60806955
methyl 2-[[azetidin-3-yl(methyl)amino]methyl]furan-3-carboxylate
CID 66185959
methyl 3-[[ethyl(piperidin-4-yl)amino]methyl]benzoate
CID 60805783
methyl 2-(piperazin-1-ylmethyl)furan-3-carboxylate
CID 43162349
methyl 2-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]furan-3-carboxylate
CID 106637513
2-[[cyclopropyl(2-methoxyethyl)amino]methyl]furan-3-carbohydrazide
CID 63585303
methyl 3-[[azepan-4-yl(ethyl)amino]methyl]benzoate;hydrochloride
CID 120844863
methyl 2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]furan-3-carboxylate
CID 115772273
methyl 2-[(2-amino-2-oxoethyl)-piperidin-4-ylamino]benzoate
CID 70202731
(3-methoxycarbonylfuran-2-yl)methylazanium
CID 7022982
N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethylcyclopropanamine
CID 62420146
[ethyl(piperidin-4-yl)amino]methanol
CID 176656456

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[ethyl(piperidin-4-yl)amino]methyl]furan-3-carboxylate?
The IUPAC name of methyl 2-[[ethyl(piperidin-4-yl)amino]methyl]furan-3-carboxylate (CID 60807301) is methyl 2-[[ethyl(piperidin-4-yl)amino]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-[[ethyl(piperidin-4-yl)amino]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-[[ethyl(piperidin-4-yl)amino]methyl]furan-3-carboxylate is CCN(Cc1occc1C(=O)OC)C1CCNCC1.
What is the InChIKey of methyl 2-[[ethyl(piperidin-4-yl)amino]methyl]furan-3-carboxylate?
The InChIKey is UEQUMZNEYOJGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-3-16(11-4-7-15-8-5-11)10-13-12(6-9-19-13)14(17)18-2/h6,9,11,15H,3-5,7-8,10H2,1-2H3.
What are the key properties of methyl 2-[[ethyl(piperidin-4-yl)amino]methyl]furan-3-carboxylate?
methyl 2-[[ethyl(piperidin-4-yl)amino]methyl]furan-3-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 2-[[ethyl(piperidin-4-yl)amino]methyl]furan-3-carboxylate is sourced from PubChem (CID 60807301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).