1,3-benzodioxol-5-yl-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone

C20H20FNO4 — CID 42844104

IUPAC1,3-benzodioxol-5-yl-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone
SMILESO=C(c1ccc2c(c1)OCO2)N1CCCC(OCc2ccccc2F)C1
InChIInChI=1S/C20H20FNO4/c21-17-6-2-1-4-15(17)12-24-16-5-3-9-22(11-16)20(23)14-7-8-18-19(10-14)26-13-25-18/h1-2,4,6-8,10,16H,3,5,9,11-13H2
InChIKeyZTZWEPNBQYHXQW-UHFFFAOYSA-N
MW357.38 g/mol
LogP3.38
Rot. Bonds4

About 1,3-benzodioxol-5-yl-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone

1,3-benzodioxol-5-yl-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone (PubChem CID 42844104) has the molecular formula C20H20FNO4 and a molecular weight of 357.38 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone
PubChem CID42844104
Molecular FormulaC20H20FNO4
Molecular Weight357.38 g/mol
Exact Mass357.14
IUPAC Name1,3-benzodioxol-5-yl-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone
SMILESO=C(c1ccc2c(c1)OCO2)N1CCCC(OCc2ccccc2F)C1
InChIInChI=1S/C20H20FNO4/c21-17-6-2-1-4-15(17)12-24-16-5-3-9-22(11-16)20(23)14-7-8-18-19(10-14)26-13-25-18/h1-2,4,6-8,10,16H,3,5,9,11-13H2
InChIKeyZTZWEPNBQYHXQW-UHFFFAOYSA-N
XLogP3.38
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-fluorophenyl)-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone
CID 46028680
1,3-benzodioxol-5-yl-[(3S)-3-[(3-methylphenyl)methoxy]piperidin-1-yl]methanone
CID 93223383
1-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]ethanone
CID 42656380
(2-chlorophenyl)-[(3S)-3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone
CID 93223153
[(3S)-3-[(2,5-difluorophenyl)methoxy]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 93223806
1-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone
CID 46028682
1,3-benzodioxol-5-yl-[(3R)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]methanone
CID 129357465
1-[(3S)-3-[(2-fluorophenyl)methoxy]piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 93223160
1,3-benzodioxol-5-yl-[3-(3,4-difluoroanilino)piperidin-1-yl]methanone
CID 45178750
(3S)-3-[(2-fluorophenyl)methoxy]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 93223962
1,3-benzodioxol-5-yl-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 122161050
[(3S)-3-[(2,5-difluorophenyl)methoxy]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 93223844

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone?
The IUPAC name of 1,3-benzodioxol-5-yl-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone (CID 42844104) is 1,3-benzodioxol-5-yl-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone.
What is the SMILES notation for 1,3-benzodioxol-5-yl-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone?
The canonical SMILES for 1,3-benzodioxol-5-yl-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone is O=C(c1ccc2c(c1)OCO2)N1CCCC(OCc2ccccc2F)C1.
What is the InChIKey of 1,3-benzodioxol-5-yl-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone?
The InChIKey is ZTZWEPNBQYHXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO4/c21-17-6-2-1-4-15(17)12-24-16-5-3-9-22(11-16)20(23)14-7-8-18-19(10-14)26-13-25-18/h1-2,4,6-8,10,16H,3,5,9,11-13H2.
What are the key properties of 1,3-benzodioxol-5-yl-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone?
1,3-benzodioxol-5-yl-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone has a molecular weight of 357.38 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone is sourced from PubChem (CID 42844104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).