[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-[(3R)-morpholin-3-yl]methanone

C16H22FN3O3 — CID 124686188

IUPAC[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-[(3R)-morpholin-3-yl]methanone
SMILESCOc1cc(F)ccc1N1CCN(C(=O)[C@H]2COCCN2)CC1
InChIInChI=1S/C16H22FN3O3/c1-22-15-10-12(17)2-3-14(15)19-5-7-20(8-6-19)16(21)13-11-23-9-4-18-13/h2-3,10,13,18H,4-9,11H2,1H3/t13-/m1/s1
InChIKeyRGDWFOCHXTZJML-CYBMUJFWSA-N
MW323.37 g/mol
LogP0.47
Rot. Bonds3

About [4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-[(3R)-morpholin-3-yl]methanone

[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-[(3R)-morpholin-3-yl]methanone (PubChem CID 124686188) has the molecular formula C16H22FN3O3 and a molecular weight of 323.37 g/mol. Its IUPAC name is [4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-[(3R)-morpholin-3-yl]methanone.

Molecular Properties

Compound Name[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-[(3R)-morpholin-3-yl]methanone
PubChem CID124686188
Molecular FormulaC16H22FN3O3
Molecular Weight323.37 g/mol
Exact Mass323.16
IUPAC Name[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-[(3R)-morpholin-3-yl]methanone
SMILESCOc1cc(F)ccc1N1CCN(C(=O)[C@H]2COCCN2)CC1
InChIInChI=1S/C16H22FN3O3/c1-22-15-10-12(17)2-3-14(15)19-5-7-20(8-6-19)16(21)13-11-23-9-4-18-13/h2-3,10,13,18H,4-9,11H2,1H3/t13-/m1/s1
InChIKeyRGDWFOCHXTZJML-CYBMUJFWSA-N
XLogP0.47
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2,5-difluorophenyl)piperazin-1-yl]-morpholin-3-ylmethanone
CID 119887859
[4-(2-fluorophenyl)piperazin-1-yl]-[(3S)-morpholin-3-yl]methanone
CID 124513191
[4-(3-methoxyphenyl)piperazin-1-yl]-morpholin-3-ylmethanone
CID 119829383
[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone;dihydrochloride
CID 119888948
[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-[(2R,3R)-2-methyloxan-3-yl]methanone
CID 129401856
[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-piperidin-3-ylmethanone
CID 119888881
[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-morpholin-3-ylmethanone;hydrochloride
CID 119710339
[(1S,3S)-3-aminocyclopentyl]-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methanone
CID 124686187
[4-[1-(2,4-difluorophenyl)propyl]piperazin-1-yl]-morpholin-3-ylmethanone
CID 119894372
2-fluoro-1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 122157838
(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 119888900
[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone
CID 119888933

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-[(3R)-morpholin-3-yl]methanone?
The IUPAC name of [4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-[(3R)-morpholin-3-yl]methanone (CID 124686188) is [4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-[(3R)-morpholin-3-yl]methanone.
What is the SMILES notation for [4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-[(3R)-morpholin-3-yl]methanone?
The canonical SMILES for [4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-[(3R)-morpholin-3-yl]methanone is COc1cc(F)ccc1N1CCN(C(=O)[C@H]2COCCN2)CC1.
What is the InChIKey of [4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-[(3R)-morpholin-3-yl]methanone?
The InChIKey is RGDWFOCHXTZJML-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22FN3O3/c1-22-15-10-12(17)2-3-14(15)19-5-7-20(8-6-19)16(21)13-11-23-9-4-18-13/h2-3,10,13,18H,4-9,11H2,1H3/t13-/m1/s1.
What are the key properties of [4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-[(3R)-morpholin-3-yl]methanone?
[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-[(3R)-morpholin-3-yl]methanone has a molecular weight of 323.37 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-[(3R)-morpholin-3-yl]methanone is sourced from PubChem (CID 124686188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).