[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone

C20H24FNO3 — CID 95564079

IUPAC[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone
SMILESCOCc1ccc(C(=O)N2CCC[C@H](CCc3ccc(F)cc3)C2)o1
InChIInChI=1S/C20H24FNO3/c1-24-14-18-10-11-19(25-18)20(23)22-12-2-3-16(13-22)5-4-15-6-8-17(21)9-7-15/h6-11,16H,2-5,12-14H2,1H3/t16-/m1/s1
InChIKeyBGDJJSIFFWQUSK-MRXNPFEDSA-N
MW345.41 g/mol
LogP4.05
Rot. Bonds6

About [(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone

[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone (PubChem CID 95564079) has the molecular formula C20H24FNO3 and a molecular weight of 345.41 g/mol. Its IUPAC name is [(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone.

Molecular Properties

Compound Name[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone
PubChem CID95564079
Molecular FormulaC20H24FNO3
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC Name[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone
SMILESCOCc1ccc(C(=O)N2CCC[C@H](CCc3ccc(F)cc3)C2)o1
InChIInChI=1S/C20H24FNO3/c1-24-14-18-10-11-19(25-18)20(23)22-12-2-3-16(13-22)5-4-15-6-8-17(21)9-7-15/h6-11,16H,2-5,12-14H2,1H3/t16-/m1/s1
InChIKeyBGDJJSIFFWQUSK-MRXNPFEDSA-N
XLogP4.05
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone with MolForge

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Related Compounds

[5-(methoxymethyl)furan-2-yl]-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone
CID 26333907
[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone
CID 24817677
[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 95552871
[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 56872964
[(3S)-3-aminopiperidin-1-yl]-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone
CID 124628175
[5-(methoxymethyl)furan-2-yl]-[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 96580607
[5-(methoxymethyl)furan-2-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488456
(5-ethyl-1,2-oxazol-3-yl)-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone
CID 95550158
[5-[(dimethylamino)methyl]furan-2-yl]-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 70758255
(2,6-difluorophenyl)-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone
CID 95550749
[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 95556318
[2-(4-fluorophenyl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone
CID 78840753

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone?
The IUPAC name of [(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone (CID 95564079) is [(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone.
What is the SMILES notation for [(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone?
The canonical SMILES for [(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone is COCc1ccc(C(=O)N2CCC[C@H](CCc3ccc(F)cc3)C2)o1.
What is the InChIKey of [(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone?
The InChIKey is BGDJJSIFFWQUSK-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H24FNO3/c1-24-14-18-10-11-19(25-18)20(23)22-12-2-3-16(13-22)5-4-15-6-8-17(21)9-7-15/h6-11,16H,2-5,12-14H2,1H3/t16-/m1/s1.
What are the key properties of [(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone?
[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone has a molecular weight of 345.41 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone is sourced from PubChem (CID 95564079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).