[5-(4-fluorophenyl)furan-2-yl]-[(3S,4S)-3-hydroxy-3-methyl-4-phenoxypiperidin-1-yl]methanone

C23H22FNO4 — CID 110164757

IUPAC[5-(4-fluorophenyl)furan-2-yl]-[(3S,4S)-3-hydroxy-3-methyl-4-phenoxypiperidin-1-yl]methanone
SMILESC[C@]1(O)CN(C(=O)c2ccc(-c3ccc(F)cc3)o2)CC[C@@H]1Oc1ccccc1
InChIInChI=1S/C23H22FNO4/c1-23(27)15-25(14-13-21(23)28-18-5-3-2-4-6-18)22(26)20-12-11-19(29-20)16-7-9-17(24)10-8-16/h2-12,21,27H,13-15H2,1H3/t21-,23-/m0/s1
InChIKeyULKZEKKFBFMHIP-GMAHTHKFSA-N
MW395.43 g/mol
LogP4.13
Rot. Bonds4

About [5-(4-fluorophenyl)furan-2-yl]-[(3S,4S)-3-hydroxy-3-methyl-4-phenoxypiperidin-1-yl]methanone

[5-(4-fluorophenyl)furan-2-yl]-[(3S,4S)-3-hydroxy-3-methyl-4-phenoxypiperidin-1-yl]methanone (PubChem CID 110164757) has the molecular formula C23H22FNO4 and a molecular weight of 395.43 g/mol. Its IUPAC name is [5-(4-fluorophenyl)furan-2-yl]-[(3S,4S)-3-hydroxy-3-methyl-4-phenoxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(4-fluorophenyl)furan-2-yl]-[(3S,4S)-3-hydroxy-3-methyl-4-phenoxypiperidin-1-yl]methanone
PubChem CID110164757
Molecular FormulaC23H22FNO4
Molecular Weight395.43 g/mol
Exact Mass395.15
IUPAC Name[5-(4-fluorophenyl)furan-2-yl]-[(3S,4S)-3-hydroxy-3-methyl-4-phenoxypiperidin-1-yl]methanone
SMILESC[C@]1(O)CN(C(=O)c2ccc(-c3ccc(F)cc3)o2)CC[C@@H]1Oc1ccccc1
InChIInChI=1S/C23H22FNO4/c1-23(27)15-25(14-13-21(23)28-18-5-3-2-4-6-18)22(26)20-12-11-19(29-20)16-7-9-17(24)10-8-16/h2-12,21,27H,13-15H2,1H3/t21-,23-/m0/s1
InChIKeyULKZEKKFBFMHIP-GMAHTHKFSA-N
XLogP4.13
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[(3S,4S)-3-hydroxy-3-methyl-4-phenoxypiperidin-1-yl]methanone
CID 110164799
[5-[(4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(3S,4S)-3-hydroxy-3-methyl-4-phenoxypiperidin-1-yl]methanone
CID 110164758
1-[5-(4-fluorophenyl)furan-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119257310
[(3S,4S)-3-hydroxy-3-methyl-4-phenoxypiperidin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
CID 110147158
[5-(4-fluorophenyl)furan-2-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 111694888
[5-(4-fluorophenyl)furan-2-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 111429882
[(3R)-3-aminopyrrolidin-1-yl]-[5-(4-fluorophenyl)furan-2-yl]methanone
CID 119412672
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-(4-fluorophenyl)furan-2-yl]methanone;hydrochloride
CID 120805886
[(3S,4S)-3-hydroxy-3-methyl-4-phenoxypiperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 110146823
[5-(4-fluorophenyl)furan-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 17447640
[1-[5-(4-fluorophenyl)furan-2-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 51238675
[5-(4-fluorophenyl)furan-2-yl]-morpholin-4-ylmethanone
CID 4307207

Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)furan-2-yl]-[(3S,4S)-3-hydroxy-3-methyl-4-phenoxypiperidin-1-yl]methanone?
The IUPAC name of [5-(4-fluorophenyl)furan-2-yl]-[(3S,4S)-3-hydroxy-3-methyl-4-phenoxypiperidin-1-yl]methanone (CID 110164757) is [5-(4-fluorophenyl)furan-2-yl]-[(3S,4S)-3-hydroxy-3-methyl-4-phenoxypiperidin-1-yl]methanone.
What is the SMILES notation for [5-(4-fluorophenyl)furan-2-yl]-[(3S,4S)-3-hydroxy-3-methyl-4-phenoxypiperidin-1-yl]methanone?
The canonical SMILES for [5-(4-fluorophenyl)furan-2-yl]-[(3S,4S)-3-hydroxy-3-methyl-4-phenoxypiperidin-1-yl]methanone is C[C@]1(O)CN(C(=O)c2ccc(-c3ccc(F)cc3)o2)CC[C@@H]1Oc1ccccc1.
What is the InChIKey of [5-(4-fluorophenyl)furan-2-yl]-[(3S,4S)-3-hydroxy-3-methyl-4-phenoxypiperidin-1-yl]methanone?
The InChIKey is ULKZEKKFBFMHIP-GMAHTHKFSA-N. The full InChI is InChI=1S/C23H22FNO4/c1-23(27)15-25(14-13-21(23)28-18-5-3-2-4-6-18)22(26)20-12-11-19(29-20)16-7-9-17(24)10-8-16/h2-12,21,27H,13-15H2,1H3/t21-,23-/m0/s1.
What are the key properties of [5-(4-fluorophenyl)furan-2-yl]-[(3S,4S)-3-hydroxy-3-methyl-4-phenoxypiperidin-1-yl]methanone?
[5-(4-fluorophenyl)furan-2-yl]-[(3S,4S)-3-hydroxy-3-methyl-4-phenoxypiperidin-1-yl]methanone has a molecular weight of 395.43 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)furan-2-yl]-[(3S,4S)-3-hydroxy-3-methyl-4-phenoxypiperidin-1-yl]methanone is sourced from PubChem (CID 110164757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).