methyl 5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-2-methylfuran-3-carboxylate

C15H24N2O3 — CID 120781800

IUPACmethyl 5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CN2CCC(N)C(C)(C)C2)oc1C
InChIInChI=1S/C15H24N2O3/c1-10-12(14(18)19-4)7-11(20-10)8-17-6-5-13(16)15(2,3)9-17/h7,13H,5-6,8-9,16H2,1-4H3
InChIKeyLOFQFUSGGUSBCO-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.93
Rot. Bonds3

About methyl 5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-2-methylfuran-3-carboxylate

methyl 5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-2-methylfuran-3-carboxylate (PubChem CID 120781800) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is methyl 5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-2-methylfuran-3-carboxylate
PubChem CID120781800
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Namemethyl 5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CN2CCC(N)C(C)(C)C2)oc1C
InChIInChI=1S/C15H24N2O3/c1-10-12(14(18)19-4)7-11(20-10)8-17-6-5-13(16)15(2,3)9-17/h7,13H,5-6,8-9,16H2,1-4H3
InChIKeyLOFQFUSGGUSBCO-UHFFFAOYSA-N
XLogP1.93
TPSA68.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[(4-methoxycarbonyl-5-methylfuran-2-yl)methyl]piperidine-4-carboxylate
CID 78789920
methyl 2-methyl-5-[(3-methylpiperidin-1-yl)methyl]furan-3-carboxylate
CID 78791073
2-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-5-methoxypyran-4-one
CID 120775872
methyl 5-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-2-methylfuran-3-carboxylate
CID 9389658
methyl 5-[[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]methyl]-2-methylfuran-3-carboxylate
CID 78898993
methyl 5-[[3-(methanesulfonamido)piperidin-1-yl]methyl]-2-methylfuran-3-carboxylate
CID 78896687
methyl 5-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-2-methylfuran-3-carboxylate
CID 9336689
methyl 2-methyl-5-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]furan-3-carboxylate
CID 78845691
methyl 5-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-2-methylfuran-3-carboxylate
CID 8591071
5-[[4-(dimethylamino)piperidin-1-yl]methyl]-2-methylfuran-3-carboxylic acid
CID 43586208
methyl 5-[[[(3S,4R)-1-ethyl-3-methylpiperidin-4-yl]-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 100904757
5-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid
CID 103356685

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-2-methylfuran-3-carboxylate (CID 120781800) is methyl 5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-2-methylfuran-3-carboxylate is COC(=O)c1cc(CN2CCC(N)C(C)(C)C2)oc1C.
What is the InChIKey of methyl 5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-2-methylfuran-3-carboxylate?
The InChIKey is LOFQFUSGGUSBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-10-12(14(18)19-4)7-11(20-10)8-17-6-5-13(16)15(2,3)9-17/h7,13H,5-6,8-9,16H2,1-4H3.
What are the key properties of methyl 5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-2-methylfuran-3-carboxylate?
methyl 5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-2-methylfuran-3-carboxylate has a molecular weight of 280.37 g/mol, XLogP of 1.93, 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-3,3-dimethylpiperidin-1-yl)methyl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 120781800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).