[3-[(4-fluorophenyl)methoxy]phenyl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone

C21H25FN2O4S — CID 56572417

IUPAC[3-[(4-fluorophenyl)methoxy]phenyl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
SMILESCS(=O)(=O)CCN1CCN(C(=O)c2cccc(OCc3ccc(F)cc3)c2)CC1
InChIInChI=1S/C21H25FN2O4S/c1-29(26,27)14-13-23-9-11-24(12-10-23)21(25)18-3-2-4-20(15-18)28-16-17-5-7-19(22)8-6-17/h2-8,15H,9-14,16H2,1H3
InChIKeyZCWHXGOCFNLQFJ-UHFFFAOYSA-N
MW420.51 g/mol
LogP2.21
Rot. Bonds7

About [3-[(4-fluorophenyl)methoxy]phenyl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone

[3-[(4-fluorophenyl)methoxy]phenyl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone (PubChem CID 56572417) has the molecular formula C21H25FN2O4S and a molecular weight of 420.51 g/mol. Its IUPAC name is [3-[(4-fluorophenyl)methoxy]phenyl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-[(4-fluorophenyl)methoxy]phenyl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
PubChem CID56572417
Molecular FormulaC21H25FN2O4S
Molecular Weight420.51 g/mol
Exact Mass420.15
IUPAC Name[3-[(4-fluorophenyl)methoxy]phenyl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
SMILESCS(=O)(=O)CCN1CCN(C(=O)c2cccc(OCc3ccc(F)cc3)c2)CC1
InChIInChI=1S/C21H25FN2O4S/c1-29(26,27)14-13-23-9-11-24(12-10-23)21(25)18-3-2-4-20(15-18)28-16-17-5-7-19(22)8-6-17/h2-8,15H,9-14,16H2,1H3
InChIKeyZCWHXGOCFNLQFJ-UHFFFAOYSA-N
XLogP2.21
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-[(4-fluorophenyl)methoxy]phenyl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(3-phenylmethoxyphenyl)methanone
CID 17449026
[4-(2-hydroxyethyl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone
CID 71944477
2-[4-[3-[(4-fluorophenyl)methoxy]benzoyl]piperazin-1-yl]-3-methylbutanenitrile
CID 56585853
(3-bromophenyl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 95753438
ethyl 1-[3-[(4-fluorophenyl)methoxy]benzoyl]piperidine-4-carboxylate
CID 51110016
N-[1-[3-[(4-fluorophenyl)methoxy]benzoyl]piperidin-4-yl]benzenesulfonamide
CID 30797122
[3-[(4-fluorophenyl)methoxy]phenyl]-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 124944380
(4-ethylphenyl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 94063036
[4-(2-methylsulfonylethyl)piperazin-1-yl]-[2-(phenoxymethyl)phenyl]methanone
CID 56533667
(4-methylsulfonylpiperazin-1-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone
CID 55822313
3-[(4-fluorophenyl)methoxy]benzamide
CID 18354605
[4-(3-ethoxybenzoyl)piperazin-1-yl]-(3-ethoxyphenyl)methanone
CID 4958094

Frequently Asked Questions

What is the IUPAC name of [3-[(4-fluorophenyl)methoxy]phenyl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone?
The IUPAC name of [3-[(4-fluorophenyl)methoxy]phenyl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone (CID 56572417) is [3-[(4-fluorophenyl)methoxy]phenyl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [3-[(4-fluorophenyl)methoxy]phenyl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone?
The canonical SMILES for [3-[(4-fluorophenyl)methoxy]phenyl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone is CS(=O)(=O)CCN1CCN(C(=O)c2cccc(OCc3ccc(F)cc3)c2)CC1.
What is the InChIKey of [3-[(4-fluorophenyl)methoxy]phenyl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone?
The InChIKey is ZCWHXGOCFNLQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O4S/c1-29(26,27)14-13-23-9-11-24(12-10-23)21(25)18-3-2-4-20(15-18)28-16-17-5-7-19(22)8-6-17/h2-8,15H,9-14,16H2,1H3.
What are the key properties of [3-[(4-fluorophenyl)methoxy]phenyl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone?
[3-[(4-fluorophenyl)methoxy]phenyl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone has a molecular weight of 420.51 g/mol, XLogP of 2.21, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-fluorophenyl)methoxy]phenyl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 56572417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).