(2S)-2-(2-fluorophenyl)-1-[(3R)-3-methylpiperazin-1-yl]-2-morpholin-4-ylethanone

C17H24FN3O2 — CID 124591150

IUPAC(2S)-2-(2-fluorophenyl)-1-[(3R)-3-methylpiperazin-1-yl]-2-morpholin-4-ylethanone
SMILESC[C@@H]1CN(C(=O)[C@H](c2ccccc2F)N2CCOCC2)CCN1
InChIInChI=1S/C17H24FN3O2/c1-13-12-21(7-6-19-13)17(22)16(20-8-10-23-11-9-20)14-4-2-3-5-15(14)18/h2-5,13,16,19H,6-12H2,1H3/t13-,16+/m1/s1
InChIKeyHXTWRLSYHGGYEZ-CJNGLKHVSA-N
MW321.40 g/mol
LogP1.02
Rot. Bonds3

About (2S)-2-(2-fluorophenyl)-1-[(3R)-3-methylpiperazin-1-yl]-2-morpholin-4-ylethanone

(2S)-2-(2-fluorophenyl)-1-[(3R)-3-methylpiperazin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 124591150) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is (2S)-2-(2-fluorophenyl)-1-[(3R)-3-methylpiperazin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name(2S)-2-(2-fluorophenyl)-1-[(3R)-3-methylpiperazin-1-yl]-2-morpholin-4-ylethanone
PubChem CID124591150
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC Name(2S)-2-(2-fluorophenyl)-1-[(3R)-3-methylpiperazin-1-yl]-2-morpholin-4-ylethanone
SMILESC[C@@H]1CN(C(=O)[C@H](c2ccccc2F)N2CCOCC2)CCN1
InChIInChI=1S/C17H24FN3O2/c1-13-12-21(7-6-19-13)17(22)16(20-8-10-23-11-9-20)14-4-2-3-5-15(14)18/h2-5,13,16,19H,6-12H2,1H3/t13-,16+/m1/s1
InChIKeyHXTWRLSYHGGYEZ-CJNGLKHVSA-N
XLogP1.02
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2-fluorophenyl)-1-[(3S)-3-methylpiperazin-1-yl]-2-morpholin-4-ylethanone
CID 124591149
(2R)-1-[(3R)-3-aminopiperidin-1-yl]-2-(2-fluorophenyl)-2-morpholin-4-ylethanone
CID 124593426
(2R)-2-(2-fluorophenyl)-1-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 124612695
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-(2-fluorophenyl)-2-morpholin-4-ylethanone
CID 120746023
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-fluorophenyl)-2-morpholin-4-ylethanone;dihydrochloride
CID 120813896
(3S)-3-(2-fluorophenyl)-1-[(3S)-3-methylpiperazin-1-yl]butan-1-one
CID 124694280
1-(3-methylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)-2-phenylethanone
CID 119579647
3-ethyl-1-(3-methylpiperazin-1-yl)-2-morpholin-4-ylpentan-1-one
CID 119579084
1-[1-(2-fluorophenyl)ethyl]-3-methylpiperazine;hydrochloride
CID 119924252
2-(2-ethoxyphenyl)-1-morpholin-4-yl-2-piperazin-1-ylethanone
CID 83979104
2,6-difluoro-N-[3-methyl-1-(3-methylpiperazin-1-yl)-1-oxobutan-2-yl]benzamide
CID 119580013
2-(2-fluorophenyl)-N-[2-(methylamino)propyl]-2-morpholin-4-ylacetamide
CID 120826501

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-fluorophenyl)-1-[(3R)-3-methylpiperazin-1-yl]-2-morpholin-4-ylethanone?
The IUPAC name of (2S)-2-(2-fluorophenyl)-1-[(3R)-3-methylpiperazin-1-yl]-2-morpholin-4-ylethanone (CID 124591150) is (2S)-2-(2-fluorophenyl)-1-[(3R)-3-methylpiperazin-1-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for (2S)-2-(2-fluorophenyl)-1-[(3R)-3-methylpiperazin-1-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for (2S)-2-(2-fluorophenyl)-1-[(3R)-3-methylpiperazin-1-yl]-2-morpholin-4-ylethanone is C[C@@H]1CN(C(=O)[C@H](c2ccccc2F)N2CCOCC2)CCN1.
What is the InChIKey of (2S)-2-(2-fluorophenyl)-1-[(3R)-3-methylpiperazin-1-yl]-2-morpholin-4-ylethanone?
The InChIKey is HXTWRLSYHGGYEZ-CJNGLKHVSA-N. The full InChI is InChI=1S/C17H24FN3O2/c1-13-12-21(7-6-19-13)17(22)16(20-8-10-23-11-9-20)14-4-2-3-5-15(14)18/h2-5,13,16,19H,6-12H2,1H3/t13-,16+/m1/s1.
What are the key properties of (2S)-2-(2-fluorophenyl)-1-[(3R)-3-methylpiperazin-1-yl]-2-morpholin-4-ylethanone?
(2S)-2-(2-fluorophenyl)-1-[(3R)-3-methylpiperazin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 321.40 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-fluorophenyl)-1-[(3R)-3-methylpiperazin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 124591150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).