[1-[[5-(methoxymethyl)furan-2-yl]methyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl acetate

C21H32N2O6 — CID 155997624

IUPAC[1-[[5-(methoxymethyl)furan-2-yl]methyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl acetate
SMILESCOCc1ccc(CN2CCC(COC(C)=O)(CC(=O)N3CCOCC3)CC2)o1
InChIInChI=1S/C21H32N2O6/c1-17(24)28-16-21(13-20(25)23-9-11-27-12-10-23)5-7-22(8-6-21)14-18-3-4-19(29-18)15-26-2/h3-4H,5-16H2,1-2H3
InChIKeyRRYSQJGZVMVACB-UHFFFAOYSA-N
MW408.50 g/mol
LogP1.82
Rot. Bonds8

About [1-[[5-(methoxymethyl)furan-2-yl]methyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl acetate

[1-[[5-(methoxymethyl)furan-2-yl]methyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl acetate (PubChem CID 155997624) has the molecular formula C21H32N2O6 and a molecular weight of 408.50 g/mol. Its IUPAC name is [1-[[5-(methoxymethyl)furan-2-yl]methyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl acetate.

Molecular Properties

Compound Name[1-[[5-(methoxymethyl)furan-2-yl]methyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl acetate
PubChem CID155997624
Molecular FormulaC21H32N2O6
Molecular Weight408.50 g/mol
Exact Mass408.23
IUPAC Name[1-[[5-(methoxymethyl)furan-2-yl]methyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl acetate
SMILESCOCc1ccc(CN2CCC(COC(C)=O)(CC(=O)N3CCOCC3)CC2)o1
InChIInChI=1S/C21H32N2O6/c1-17(24)28-16-21(13-20(25)23-9-11-27-12-10-23)5-7-22(8-6-21)14-18-3-4-19(29-18)15-26-2/h3-4H,5-16H2,1-2H3
InChIKeyRRYSQJGZVMVACB-UHFFFAOYSA-N
XLogP1.82
TPSA81.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [1-[[5-(methoxymethyl)furan-2-yl]methyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl acetate with MolForge

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Related Compounds

[1-(4-fluorobenzoyl)-4-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl acetate
CID 155997626
[5-[[4-[2-(1-adamantyl)acetyl]-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl acetate
CID 3853223
[5-[[4-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl acetate
CID 74227633
1-[4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone
CID 75439073
[5-[[4-(3-methylsulfanylpropanoyl)-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl acetate
CID 5170898
[5-[(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)methyl]furan-2-yl]methyl acetate
CID 3763751
4-[[5-(morpholin-4-ylmethyl)furan-2-yl]methyl]morpholine
CID 155546801
(4-chlorophenyl)-[4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-1-yl]methanone
CID 84592898
(4aS,8aS)-2-[[5-(methoxymethyl)furan-2-yl]methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 129419126
(4aR,8aS)-2-[[5-(methoxymethyl)furan-2-yl]methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 129419127
N-(3,5-dimethoxyphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)cyclopentyl]acetamide
CID 17496413
[5-[[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl acetate
CID 5092270

Frequently Asked Questions

What is the IUPAC name of [1-[[5-(methoxymethyl)furan-2-yl]methyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl acetate?
The IUPAC name of [1-[[5-(methoxymethyl)furan-2-yl]methyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl acetate (CID 155997624) is [1-[[5-(methoxymethyl)furan-2-yl]methyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl acetate.
What is the SMILES notation for [1-[[5-(methoxymethyl)furan-2-yl]methyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl acetate?
The canonical SMILES for [1-[[5-(methoxymethyl)furan-2-yl]methyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl acetate is COCc1ccc(CN2CCC(COC(C)=O)(CC(=O)N3CCOCC3)CC2)o1.
What is the InChIKey of [1-[[5-(methoxymethyl)furan-2-yl]methyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl acetate?
The InChIKey is RRYSQJGZVMVACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O6/c1-17(24)28-16-21(13-20(25)23-9-11-27-12-10-23)5-7-22(8-6-21)14-18-3-4-19(29-18)15-26-2/h3-4H,5-16H2,1-2H3.
What are the key properties of [1-[[5-(methoxymethyl)furan-2-yl]methyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl acetate?
[1-[[5-(methoxymethyl)furan-2-yl]methyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl acetate has a molecular weight of 408.50 g/mol, XLogP of 1.82, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[5-(methoxymethyl)furan-2-yl]methyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl acetate is sourced from PubChem (CID 155997624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).