methyl 5-[(4-amino-3-methylpiperidin-1-yl)methyl]furan-2-carboxylate

C13H20N2O3 — CID 79868617

IUPACmethyl 5-[(4-amino-3-methylpiperidin-1-yl)methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CN2CCC(N)C(C)C2)o1
InChIInChI=1S/C13H20N2O3/c1-9-7-15(6-5-11(9)14)8-10-3-4-12(18-10)13(16)17-2/h3-4,9,11H,5-8,14H2,1-2H3
InChIKeyFDYZQTNDLCKSCV-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.24
Rot. Bonds3

About methyl 5-[(4-amino-3-methylpiperidin-1-yl)methyl]furan-2-carboxylate

methyl 5-[(4-amino-3-methylpiperidin-1-yl)methyl]furan-2-carboxylate (PubChem CID 79868617) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is methyl 5-[(4-amino-3-methylpiperidin-1-yl)methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(4-amino-3-methylpiperidin-1-yl)methyl]furan-2-carboxylate
PubChem CID79868617
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Namemethyl 5-[(4-amino-3-methylpiperidin-1-yl)methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CN2CCC(N)C(C)C2)o1
InChIInChI=1S/C13H20N2O3/c1-9-7-15(6-5-11(9)14)8-10-3-4-12(18-10)13(16)17-2/h3-4,9,11H,5-8,14H2,1-2H3
InChIKeyFDYZQTNDLCKSCV-UHFFFAOYSA-N
XLogP1.24
TPSA68.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-[(4-amino-3-methylpiperidin-1-yl)methyl]furan-2-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

methyl 5-[[4-[(5-methoxycarbonylfuran-2-yl)methyl]piperazin-1-yl]methyl]furan-2-carboxylate
CID 652979
5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid
CID 103577076
methyl 5-[[4-(1-aminoethyl)piperidin-1-yl]methyl]furan-2-carboxylate
CID 63596044
ethyl 5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]furan-2-carboxylate;hydrochloride
CID 120909270
methyl 5-[[3-(methylaminomethyl)piperidin-1-yl]methyl]furan-2-carboxylate
CID 61204990
ethyl (3S)-1-[(5-methoxycarbonylfuran-2-yl)methyl]piperidine-3-carboxylate
CID 81338404
ethyl 5-[(3-aminopyrrolidin-1-yl)methyl]furan-2-carboxylate;dihydrochloride
CID 167768464
5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]furan-2-carbohydrazide
CID 102968693
methyl 5-[[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]furan-2-carboxylate
CID 95575195
methyl 5-[[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]methyl]furan-2-carboxylate
CID 79827347
methyl 4-[(4-amino-3-ethylpiperidin-1-yl)methyl]benzoate
CID 81457170
methyl 5-[[4-(4-hydroxyphenyl)piperazin-1-yl]methyl]furan-2-carboxylate
CID 8689991

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4-amino-3-methylpiperidin-1-yl)methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[(4-amino-3-methylpiperidin-1-yl)methyl]furan-2-carboxylate (CID 79868617) is methyl 5-[(4-amino-3-methylpiperidin-1-yl)methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[(4-amino-3-methylpiperidin-1-yl)methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[(4-amino-3-methylpiperidin-1-yl)methyl]furan-2-carboxylate is COC(=O)c1ccc(CN2CCC(N)C(C)C2)o1.
What is the InChIKey of methyl 5-[(4-amino-3-methylpiperidin-1-yl)methyl]furan-2-carboxylate?
The InChIKey is FDYZQTNDLCKSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-9-7-15(6-5-11(9)14)8-10-3-4-12(18-10)13(16)17-2/h3-4,9,11H,5-8,14H2,1-2H3.
What are the key properties of methyl 5-[(4-amino-3-methylpiperidin-1-yl)methyl]furan-2-carboxylate?
methyl 5-[(4-amino-3-methylpiperidin-1-yl)methyl]furan-2-carboxylate has a molecular weight of 252.31 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(4-amino-3-methylpiperidin-1-yl)methyl]furan-2-carboxylate is sourced from PubChem (CID 79868617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).