[3-(2-fluorophenoxy)azetidin-1-yl]-[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]methanone

C20H23FN2O3 — CID 97284449

IUPAC[3-(2-fluorophenoxy)azetidin-1-yl]-[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]methanone
SMILESO=C([C@H]1CCCN(Cc2ccco2)C1)N1CC(Oc2ccccc2F)C1
InChIInChI=1S/C20H23FN2O3/c21-18-7-1-2-8-19(18)26-17-13-23(14-17)20(24)15-5-3-9-22(11-15)12-16-6-4-10-25-16/h1-2,4,6-8,10,15,17H,3,5,9,11-14H2/t15-/m0/s1
InChIKeyCITDKOUCGVEZSD-HNNXBMFYSA-N
MW358.41 g/mol
LogP2.92
Rot. Bonds5

About [3-(2-fluorophenoxy)azetidin-1-yl]-[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]methanone

[3-(2-fluorophenoxy)azetidin-1-yl]-[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]methanone (PubChem CID 97284449) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is [3-(2-fluorophenoxy)azetidin-1-yl]-[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name[3-(2-fluorophenoxy)azetidin-1-yl]-[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]methanone
PubChem CID97284449
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Name[3-(2-fluorophenoxy)azetidin-1-yl]-[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]methanone
SMILESO=C([C@H]1CCCN(Cc2ccco2)C1)N1CC(Oc2ccccc2F)C1
InChIInChI=1S/C20H23FN2O3/c21-18-7-1-2-8-19(18)26-17-13-23(14-17)20(24)15-5-3-9-22(11-15)12-16-6-4-10-25-16/h1-2,4,6-8,10,15,17H,3,5,9,11-14H2/t15-/m0/s1
InChIKeyCITDKOUCGVEZSD-HNNXBMFYSA-N
XLogP2.92
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-(2-fluorophenoxy)azetidin-1-yl]-[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]methanone with MolForge

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Related Compounds

[4-(4-fluorophenyl)piperazin-1-yl]-[1-(furan-2-ylmethyl)piperidin-3-yl]methanone
CID 72892319
1-[(3S)-3-[3-(2-fluorophenoxy)azetidine-1-carbonyl]piperidin-1-yl]-2-methoxyethanone
CID 97187034
[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[1-(furan-2-ylmethyl)piperidin-3-yl]methanone
CID 45250420
3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methanone
CID 97281855
[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 97188319
[1-(furan-2-ylmethyl)piperidin-3-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 72901707
[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 97187368
[1-(furan-2-ylmethyl)piperidin-3-yl]-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 72840558
8-[(3R)-1-(furan-2-ylmethyl)piperidine-3-carbonyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one
CID 97276236
[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone
CID 97277137
[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 97192888
azepan-1-yl-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 756318

Frequently Asked Questions

What is the IUPAC name of [3-(2-fluorophenoxy)azetidin-1-yl]-[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]methanone?
The IUPAC name of [3-(2-fluorophenoxy)azetidin-1-yl]-[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]methanone (CID 97284449) is [3-(2-fluorophenoxy)azetidin-1-yl]-[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]methanone.
What is the SMILES notation for [3-(2-fluorophenoxy)azetidin-1-yl]-[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]methanone?
The canonical SMILES for [3-(2-fluorophenoxy)azetidin-1-yl]-[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]methanone is O=C([C@H]1CCCN(Cc2ccco2)C1)N1CC(Oc2ccccc2F)C1.
What is the InChIKey of [3-(2-fluorophenoxy)azetidin-1-yl]-[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]methanone?
The InChIKey is CITDKOUCGVEZSD-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H23FN2O3/c21-18-7-1-2-8-19(18)26-17-13-23(14-17)20(24)15-5-3-9-22(11-15)12-16-6-4-10-25-16/h1-2,4,6-8,10,15,17H,3,5,9,11-14H2/t15-/m0/s1.
What are the key properties of [3-(2-fluorophenoxy)azetidin-1-yl]-[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]methanone?
[3-(2-fluorophenoxy)azetidin-1-yl]-[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]methanone has a molecular weight of 358.41 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-fluorophenoxy)azetidin-1-yl]-[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]methanone is sourced from PubChem (CID 97284449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).