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

C15H24N2O3 — CID 104585884

IUPACmethyl 5-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1coc(CNC2CCN(C(C)C)CC2)c1
InChIInChI=1S/C15H24N2O3/c1-11(2)17-6-4-13(5-7-17)16-9-14-8-12(10-20-14)15(18)19-3/h8,10-11,13,16H,4-7,9H2,1-3H3
InChIKeySFTAGXPKCKMUCB-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.03
Rot. Bonds5

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

methyl 5-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]furan-3-carboxylate (PubChem CID 104585884) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is methyl 5-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]furan-3-carboxylate
PubChem CID104585884
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Namemethyl 5-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1coc(CNC2CCN(C(C)C)CC2)c1
InChIInChI=1S/C15H24N2O3/c1-11(2)17-6-4-13(5-7-17)16-9-14-8-12(10-20-14)15(18)19-3/h8,10-11,13,16H,4-7,9H2,1-3H3
InChIKeySFTAGXPKCKMUCB-UHFFFAOYSA-N
XLogP2.03
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]furan-3-carboxylate with MolForge

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Related Compounds

methyl 5-[[(1-propylpiperidin-4-yl)amino]methyl]furan-3-carboxylate
CID 104586644
methyl 5-[[(3-methylcyclobutyl)amino]methyl]furan-3-carboxylate
CID 104586483
methyl 5-[[(3,5-dimethylcyclohexyl)amino]methyl]furan-3-carboxylate
CID 104586345
methyl 5-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]furan-3-carboxylate
CID 104585934
methyl 5-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]furan-3-carboxylate
CID 104586464
methyl 5-[(2-cyclopropylethylamino)methyl]furan-3-carboxylate
CID 104586453
methyl 5-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]furan-3-carboxylate
CID 104586463
methyl 5-[[(1-amino-1-oxopropan-2-yl)amino]methyl]furan-3-carboxylate
CID 104586651
methyl 5-[[[3-(cyclopropylamino)-3-oxopropyl]amino]methyl]furan-3-carboxylate
CID 104586101
5-[[(1,1-dioxothian-4-yl)amino]methyl]furan-3-carboxylic acid
CID 104608237
methyl 5-ethylfuran-3-carboxylate
CID 23661323
methyl 5-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]furan-3-carboxylate
CID 104585751

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]furan-3-carboxylate?
The IUPAC name of methyl 5-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]furan-3-carboxylate (CID 104585884) is methyl 5-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 5-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 5-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]furan-3-carboxylate is COC(=O)c1coc(CNC2CCN(C(C)C)CC2)c1.
What is the InChIKey of methyl 5-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]furan-3-carboxylate?
The InChIKey is SFTAGXPKCKMUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-11(2)17-6-4-13(5-7-17)16-9-14-8-12(10-20-14)15(18)19-3/h8,10-11,13,16H,4-7,9H2,1-3H3.
What are the key properties of methyl 5-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]furan-3-carboxylate?
methyl 5-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]furan-3-carboxylate has a molecular weight of 280.37 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]furan-3-carboxylate is sourced from PubChem (CID 104585884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).