[(3R,5S)-3,5-dimethylpiperidin-1-yl]-[5-(3-fluorophenoxy)furan-2-yl]methanone

C18H20FNO3 — CID 97458702

IUPAC[(3R,5S)-3,5-dimethylpiperidin-1-yl]-[5-(3-fluorophenoxy)furan-2-yl]methanone
SMILESC[C@@H]1C[C@H](C)CN(C(=O)c2ccc(Oc3cccc(F)c3)o2)C1
InChIInChI=1S/C18H20FNO3/c1-12-8-13(2)11-20(10-12)18(21)16-6-7-17(23-16)22-15-5-3-4-14(19)9-15/h3-7,9,12-13H,8,10-11H2,1-2H3/t12-,13+
InChIKeyMFVNFASIDRQZKQ-BETUJISGSA-N
MW317.36 g/mol
LogP4.33
Rot. Bonds3

About [(3R,5S)-3,5-dimethylpiperidin-1-yl]-[5-(3-fluorophenoxy)furan-2-yl]methanone

[(3R,5S)-3,5-dimethylpiperidin-1-yl]-[5-(3-fluorophenoxy)furan-2-yl]methanone (PubChem CID 97458702) has the molecular formula C18H20FNO3 and a molecular weight of 317.36 g/mol. Its IUPAC name is [(3R,5S)-3,5-dimethylpiperidin-1-yl]-[5-(3-fluorophenoxy)furan-2-yl]methanone.

Molecular Properties

Compound Name[(3R,5S)-3,5-dimethylpiperidin-1-yl]-[5-(3-fluorophenoxy)furan-2-yl]methanone
PubChem CID97458702
Molecular FormulaC18H20FNO3
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC Name[(3R,5S)-3,5-dimethylpiperidin-1-yl]-[5-(3-fluorophenoxy)furan-2-yl]methanone
SMILESC[C@@H]1C[C@H](C)CN(C(=O)c2ccc(Oc3cccc(F)c3)o2)C1
InChIInChI=1S/C18H20FNO3/c1-12-8-13(2)11-20(10-12)18(21)16-6-7-17(23-16)22-15-5-3-4-14(19)9-15/h3-7,9,12-13H,8,10-11H2,1-2H3/t12-,13+
InChIKeyMFVNFASIDRQZKQ-BETUJISGSA-N
XLogP4.33
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(3R,5S)-3,5-dimethylpiperidin-1-yl]-[5-(3-fluorophenoxy)furan-2-yl]methanone with MolForge

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Related Compounds

N-cyclopropyl-5-(3-fluorophenoxy)furan-2-carboxamide
CID 91938819
(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(5-phenoxyfuran-2-yl)methanone
CID 166216191
[(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
[4-(methylamino)piperidin-1-yl]-(5-phenoxyfuran-2-yl)methanone;hydrochloride
CID 119561915
(2,6-difluorophenyl)-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 898638
benzyl 1-(5-phenoxyfuran-2-carbonyl)azetidine-3-carboxylate
CID 75450126
[(3S)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-(5-phenoxyfuran-2-yl)methanone
CID 95885617
(3,5-dimethylpiperidin-1-yl)-(furan-2-yl)methanone
CID 3554553
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-(furan-2-yl)methanone
CID 669413
[(3S,5R)-3,5-dimethylpiperidin-1-yl]-(4-phenoxyphenyl)methanone
CID 26003226
(3,5-dimethylpiperidin-1-yl)-[3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazol-4-yl]methanone
CID 16925835
[5-(3-amino-4-methylphenyl)furan-2-yl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 91679636

Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-3,5-dimethylpiperidin-1-yl]-[5-(3-fluorophenoxy)furan-2-yl]methanone?
The IUPAC name of [(3R,5S)-3,5-dimethylpiperidin-1-yl]-[5-(3-fluorophenoxy)furan-2-yl]methanone (CID 97458702) is [(3R,5S)-3,5-dimethylpiperidin-1-yl]-[5-(3-fluorophenoxy)furan-2-yl]methanone.
What is the SMILES notation for [(3R,5S)-3,5-dimethylpiperidin-1-yl]-[5-(3-fluorophenoxy)furan-2-yl]methanone?
The canonical SMILES for [(3R,5S)-3,5-dimethylpiperidin-1-yl]-[5-(3-fluorophenoxy)furan-2-yl]methanone is C[C@@H]1C[C@H](C)CN(C(=O)c2ccc(Oc3cccc(F)c3)o2)C1.
What is the InChIKey of [(3R,5S)-3,5-dimethylpiperidin-1-yl]-[5-(3-fluorophenoxy)furan-2-yl]methanone?
The InChIKey is MFVNFASIDRQZKQ-BETUJISGSA-N. The full InChI is InChI=1S/C18H20FNO3/c1-12-8-13(2)11-20(10-12)18(21)16-6-7-17(23-16)22-15-5-3-4-14(19)9-15/h3-7,9,12-13H,8,10-11H2,1-2H3/t12-,13+.
What are the key properties of [(3R,5S)-3,5-dimethylpiperidin-1-yl]-[5-(3-fluorophenoxy)furan-2-yl]methanone?
[(3R,5S)-3,5-dimethylpiperidin-1-yl]-[5-(3-fluorophenoxy)furan-2-yl]methanone has a molecular weight of 317.36 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-3,5-dimethylpiperidin-1-yl]-[5-(3-fluorophenoxy)furan-2-yl]methanone is sourced from PubChem (CID 97458702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).