methyl 5-[[3-(methylaminomethyl)piperidin-1-yl]methyl]furan-2-carboxylate

C14H22N2O3 — CID 61204990

IUPACmethyl 5-[[3-(methylaminomethyl)piperidin-1-yl]methyl]furan-2-carboxylate
SMILESCNCC1CCCN(Cc2ccc(C(=O)OC)o2)C1
InChIInChI=1S/C14H22N2O3/c1-15-8-11-4-3-7-16(9-11)10-12-5-6-13(19-12)14(17)18-2/h5-6,11,15H,3-4,7-10H2,1-2H3
InChIKeyIJCJWUMOSAIHIM-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.50
Rot. Bonds5

About methyl 5-[[3-(methylaminomethyl)piperidin-1-yl]methyl]furan-2-carboxylate

methyl 5-[[3-(methylaminomethyl)piperidin-1-yl]methyl]furan-2-carboxylate (PubChem CID 61204990) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is methyl 5-[[3-(methylaminomethyl)piperidin-1-yl]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[3-(methylaminomethyl)piperidin-1-yl]methyl]furan-2-carboxylate
PubChem CID61204990
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Namemethyl 5-[[3-(methylaminomethyl)piperidin-1-yl]methyl]furan-2-carboxylate
SMILESCNCC1CCCN(Cc2ccc(C(=O)OC)o2)C1
InChIInChI=1S/C14H22N2O3/c1-15-8-11-4-3-7-16(9-11)10-12-5-6-13(19-12)14(17)18-2/h5-6,11,15H,3-4,7-10H2,1-2H3
InChIKeyIJCJWUMOSAIHIM-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (3S)-1-[(5-methoxycarbonylfuran-2-yl)methyl]piperidine-3-carboxylate
CID 81338404
methyl 5-[[4-[(5-methoxycarbonylfuran-2-yl)methyl]piperazin-1-yl]methyl]furan-2-carboxylate
CID 652979
methyl 5-[[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]furan-2-carboxylate
CID 95575195
methyl 5-[(4-amino-3-methylpiperidin-1-yl)methyl]furan-2-carboxylate
CID 79868617
2-[4-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenoxy]acetamide
CID 61206346
1-[1-[(4-iodophenyl)methyl]piperidin-3-yl]-N-methylmethanamine
CID 65479043
methyl 5-[[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]methyl]furan-2-carboxylate
CID 79827347
methyl 4-chloro-3-[[3-(methylaminomethyl)piperidin-1-yl]methyl]benzoate
CID 120835692
methyl 5-[[4-(1-methylpyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate
CID 3345183
methyl 5-[(cyclobutylmethylamino)methyl]furan-2-carboxylate
CID 43775265
methyl 5-[[4-(1-aminoethyl)piperidin-1-yl]methyl]furan-2-carboxylate
CID 63596044
5-[[3-(methylaminomethyl)piperidin-1-yl]methyl]-1,2-oxazole-3-carbohydrazide
CID 63577918

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[3-(methylaminomethyl)piperidin-1-yl]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[3-(methylaminomethyl)piperidin-1-yl]methyl]furan-2-carboxylate (CID 61204990) is methyl 5-[[3-(methylaminomethyl)piperidin-1-yl]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[3-(methylaminomethyl)piperidin-1-yl]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[3-(methylaminomethyl)piperidin-1-yl]methyl]furan-2-carboxylate is CNCC1CCCN(Cc2ccc(C(=O)OC)o2)C1.
What is the InChIKey of methyl 5-[[3-(methylaminomethyl)piperidin-1-yl]methyl]furan-2-carboxylate?
The InChIKey is IJCJWUMOSAIHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-15-8-11-4-3-7-16(9-11)10-12-5-6-13(19-12)14(17)18-2/h5-6,11,15H,3-4,7-10H2,1-2H3.
What are the key properties of methyl 5-[[3-(methylaminomethyl)piperidin-1-yl]methyl]furan-2-carboxylate?
methyl 5-[[3-(methylaminomethyl)piperidin-1-yl]methyl]furan-2-carboxylate has a molecular weight of 266.34 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[3-(methylaminomethyl)piperidin-1-yl]methyl]furan-2-carboxylate is sourced from PubChem (CID 61204990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).