methyl 5-[[(6-oxopiperidin-3-yl)amino]methyl]furan-2-carboxylate

C12H16N2O4 — CID 55246254

IUPACmethyl 5-[[(6-oxopiperidin-3-yl)amino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CNC2CCC(=O)NC2)o1
InChIInChI=1S/C12H16N2O4/c1-17-12(16)10-4-3-9(18-10)7-13-8-2-5-11(15)14-6-8/h3-4,8,13H,2,5-7H2,1H3,(H,14,15)
InChIKeyJJPUBKUAYWDSAC-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.43
Rot. Bonds4

About methyl 5-[[(6-oxopiperidin-3-yl)amino]methyl]furan-2-carboxylate

methyl 5-[[(6-oxopiperidin-3-yl)amino]methyl]furan-2-carboxylate (PubChem CID 55246254) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is methyl 5-[[(6-oxopiperidin-3-yl)amino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(6-oxopiperidin-3-yl)amino]methyl]furan-2-carboxylate
PubChem CID55246254
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Namemethyl 5-[[(6-oxopiperidin-3-yl)amino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CNC2CCC(=O)NC2)o1
InChIInChI=1S/C12H16N2O4/c1-17-12(16)10-4-3-9(18-10)7-13-8-2-5-11(15)14-6-8/h3-4,8,13H,2,5-7H2,1H3,(H,14,15)
InChIKeyJJPUBKUAYWDSAC-UHFFFAOYSA-N
XLogP0.43
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 5-[[(6-oxopiperidin-3-yl)amino]methyl]furan-2-carboxylate with MolForge

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Related Compounds

methyl 4-[[(6-oxopiperidin-3-yl)amino]methyl]benzoate
CID 63663688
methyl 5-[(thian-3-ylamino)methyl]furan-2-carboxylate
CID 115882141
(5R)-5-[[4-(4-methoxyphenoxy)phenyl]methylamino]piperidin-2-one
CID 97351119
methyl 5-[[(2-methylcyclopropyl)amino]methyl]furan-2-carboxylate
CID 62396348
methyl 5-[[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]methyl]furan-2-carboxylate
CID 65471978
methyl 5-[[(3-ethylcyclohexyl)amino]methyl]furan-2-carboxylate
CID 64743370
methyl 5-[[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]methyl]furan-2-carboxylate
CID 107239036
5-(furan-2-ylmethylamino)piperidin-2-one
CID 63378593
5-[[(6-oxopiperidin-3-yl)amino]methyl]thiophene-2-carboxylic acid
CID 103250865
methyl 5-[(cyclobutylmethylamino)methyl]furan-2-carboxylate
CID 43775265
5-(pyridin-4-ylmethylamino)piperidin-2-one
CID 63378640
ethyl 5-[[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]methyl]furan-2-carboxylate
CID 97336586

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(6-oxopiperidin-3-yl)amino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[(6-oxopiperidin-3-yl)amino]methyl]furan-2-carboxylate (CID 55246254) is methyl 5-[[(6-oxopiperidin-3-yl)amino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[(6-oxopiperidin-3-yl)amino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[(6-oxopiperidin-3-yl)amino]methyl]furan-2-carboxylate is COC(=O)c1ccc(CNC2CCC(=O)NC2)o1.
What is the InChIKey of methyl 5-[[(6-oxopiperidin-3-yl)amino]methyl]furan-2-carboxylate?
The InChIKey is JJPUBKUAYWDSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-17-12(16)10-4-3-9(18-10)7-13-8-2-5-11(15)14-6-8/h3-4,8,13H,2,5-7H2,1H3,(H,14,15).
What are the key properties of methyl 5-[[(6-oxopiperidin-3-yl)amino]methyl]furan-2-carboxylate?
methyl 5-[[(6-oxopiperidin-3-yl)amino]methyl]furan-2-carboxylate has a molecular weight of 252.27 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(6-oxopiperidin-3-yl)amino]methyl]furan-2-carboxylate is sourced from PubChem (CID 55246254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).