[(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(5-phenoxyfuran-2-yl)methanone

C17H19NO5 — CID 56891178

IUPAC[(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(5-phenoxyfuran-2-yl)methanone
SMILESO=C(c1ccc(Oc2ccccc2)o1)N1CC[C@H](CO)[C@H](O)C1
InChIInChI=1S/C17H19NO5/c19-11-12-8-9-18(10-14(12)20)17(21)15-6-7-16(23-15)22-13-4-2-1-3-5-13/h1-7,12,14,19-20H,8-11H2/t12-,14-/m1/s1
InChIKeyXNBKEIQAWQJHJX-TZMCWYRMSA-N
MW317.34 g/mol
LogP1.89
Rot. Bonds4

About [(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(5-phenoxyfuran-2-yl)methanone

[(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(5-phenoxyfuran-2-yl)methanone (PubChem CID 56891178) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is [(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(5-phenoxyfuran-2-yl)methanone.

Molecular Properties

Compound Name[(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(5-phenoxyfuran-2-yl)methanone
PubChem CID56891178
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Name[(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(5-phenoxyfuran-2-yl)methanone
SMILESO=C(c1ccc(Oc2ccccc2)o1)N1CC[C@H](CO)[C@H](O)C1
InChIInChI=1S/C17H19NO5/c19-11-12-8-9-18(10-14(12)20)17(21)15-6-7-16(23-15)22-13-4-2-1-3-5-13/h1-7,12,14,19-20H,8-11H2/t12-,14-/m1/s1
InChIKeyXNBKEIQAWQJHJX-TZMCWYRMSA-N
XLogP1.89
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(methylamino)piperidin-1-yl]-(5-phenoxyfuran-2-yl)methanone;hydrochloride
CID 119561915
[(3S)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-(5-phenoxyfuran-2-yl)methanone
CID 95885617
(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(5-phenoxyfuran-2-yl)methanone
CID 166216191
[(4aS,8aS)-4a-(hydroxymethyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-7-yl]-(5-phenoxyfuran-2-yl)methanone
CID 135098413
1,4-diazepan-1-yl-(5-phenoxyfuran-2-yl)methanone
CID 119416420
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(5-phenoxyfuran-2-yl)methanone;hydrochloride
CID 120657669
benzyl 1-(5-phenoxyfuran-2-carbonyl)azetidine-3-carboxylate
CID 75450126
(2R)-1-(5-phenoxyfuran-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 119370875
N-[[(3S,4S)-3-hydroxy-1-(5-methoxyfuran-2-carbonyl)piperidin-4-yl]methyl]pyrrolidine-1-carboxamide
CID 56896856
[2-(methylaminomethyl)pyrrolidin-1-yl]-(5-phenoxyfuran-2-yl)methanone
CID 119650375
[2-(methylaminomethyl)pyrrolidin-1-yl]-(5-phenoxyfuran-2-yl)methanone;hydrochloride
CID 119650374
N-[(2-hydroxycyclohexyl)methyl]-N-methyl-5-phenoxyfuran-2-carboxamide
CID 110003438

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(5-phenoxyfuran-2-yl)methanone?
The IUPAC name of [(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(5-phenoxyfuran-2-yl)methanone (CID 56891178) is [(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(5-phenoxyfuran-2-yl)methanone.
What is the SMILES notation for [(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(5-phenoxyfuran-2-yl)methanone?
The canonical SMILES for [(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(5-phenoxyfuran-2-yl)methanone is O=C(c1ccc(Oc2ccccc2)o1)N1CC[C@H](CO)[C@H](O)C1.
What is the InChIKey of [(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(5-phenoxyfuran-2-yl)methanone?
The InChIKey is XNBKEIQAWQJHJX-TZMCWYRMSA-N. The full InChI is InChI=1S/C17H19NO5/c19-11-12-8-9-18(10-14(12)20)17(21)15-6-7-16(23-15)22-13-4-2-1-3-5-13/h1-7,12,14,19-20H,8-11H2/t12-,14-/m1/s1.
What are the key properties of [(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(5-phenoxyfuran-2-yl)methanone?
[(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(5-phenoxyfuran-2-yl)methanone has a molecular weight of 317.34 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(5-phenoxyfuran-2-yl)methanone is sourced from PubChem (CID 56891178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).