[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[2-[(4-methylphenoxy)methyl]furan-3-yl]methanone

C19H23NO5 — CID 56918960

IUPAC[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[2-[(4-methylphenoxy)methyl]furan-3-yl]methanone
SMILESCc1ccc(OCc2occc2C(=O)N2CC[C@H](CO)[C@@H](O)C2)cc1
InChIInChI=1S/C19H23NO5/c1-13-2-4-15(5-3-13)25-12-18-16(7-9-24-18)19(23)20-8-6-14(11-21)17(22)10-20/h2-5,7,9,14,17,21-22H,6,8,10-12H2,1H3/t14-,17+/m1/s1
InChIKeyVGJVFTJAFKFTKB-PBHICJAKSA-N
MW345.39 g/mol
LogP1.98
Rot. Bonds5

About [(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[2-[(4-methylphenoxy)methyl]furan-3-yl]methanone

[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[2-[(4-methylphenoxy)methyl]furan-3-yl]methanone (PubChem CID 56918960) has the molecular formula C19H23NO5 and a molecular weight of 345.39 g/mol. Its IUPAC name is [(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[2-[(4-methylphenoxy)methyl]furan-3-yl]methanone.

Molecular Properties

Compound Name[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[2-[(4-methylphenoxy)methyl]furan-3-yl]methanone
PubChem CID56918960
Molecular FormulaC19H23NO5
Molecular Weight345.39 g/mol
Exact Mass345.16
IUPAC Name[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[2-[(4-methylphenoxy)methyl]furan-3-yl]methanone
SMILESCc1ccc(OCc2occc2C(=O)N2CC[C@H](CO)[C@@H](O)C2)cc1
InChIInChI=1S/C19H23NO5/c1-13-2-4-15(5-3-13)25-12-18-16(7-9-24-18)19(23)20-8-6-14(11-21)17(22)10-20/h2-5,7,9,14,17,21-22H,6,8,10-12H2,1H3/t14-,17+/m1/s1
InChIKeyVGJVFTJAFKFTKB-PBHICJAKSA-N
XLogP1.98
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[2-[(4-methylphenoxy)methyl]furan-3-yl]methanone with MolForge

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Related Compounds

1-[6-hydroxy-4-[2-[(4-methylphenoxy)methyl]furan-3-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 118769800
1-[(6R)-6-hydroxy-4-[2-[(4-methylphenoxy)methyl]furan-3-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 125157280
(2-chloro-5-methylphenyl)-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 155492853
[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[2-(2-methylphenyl)phenyl]methanone
CID 56885604
[(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methanone
CID 155492081
[3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 62348870
2-[3-(4-hydroxy-3-methylpiperidine-1-carbonyl)furan-2-yl]acetic acid
CID 114217888
2-[(4-methylphenoxy)methyl]-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]furan-3-carboxamide
CID 91789422
methyl 4-[(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]benzoate
CID 155503093
(2,4-difluoro-3-methoxyphenyl)-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 56894129
[5-chloro-2-(methylamino)phenyl]-[(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 134700123
2-[(4-carboxyphenoxy)methyl]furan-3-carboxylic acid
CID 823830

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[2-[(4-methylphenoxy)methyl]furan-3-yl]methanone?
The IUPAC name of [(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[2-[(4-methylphenoxy)methyl]furan-3-yl]methanone (CID 56918960) is [(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[2-[(4-methylphenoxy)methyl]furan-3-yl]methanone.
What is the SMILES notation for [(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[2-[(4-methylphenoxy)methyl]furan-3-yl]methanone?
The canonical SMILES for [(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[2-[(4-methylphenoxy)methyl]furan-3-yl]methanone is Cc1ccc(OCc2occc2C(=O)N2CC[C@H](CO)[C@@H](O)C2)cc1.
What is the InChIKey of [(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[2-[(4-methylphenoxy)methyl]furan-3-yl]methanone?
The InChIKey is VGJVFTJAFKFTKB-PBHICJAKSA-N. The full InChI is InChI=1S/C19H23NO5/c1-13-2-4-15(5-3-13)25-12-18-16(7-9-24-18)19(23)20-8-6-14(11-21)17(22)10-20/h2-5,7,9,14,17,21-22H,6,8,10-12H2,1H3/t14-,17+/m1/s1.
What are the key properties of [(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[2-[(4-methylphenoxy)methyl]furan-3-yl]methanone?
[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[2-[(4-methylphenoxy)methyl]furan-3-yl]methanone has a molecular weight of 345.39 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[2-[(4-methylphenoxy)methyl]furan-3-yl]methanone is sourced from PubChem (CID 56918960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).