(2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-quinoxalin-2-ylphenoxy)propan-1-one

C27H25FN4O2 — CID 93072543

IUPAC(2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-quinoxalin-2-ylphenoxy)propan-1-one
SMILESC[C@@H](Oc1ccc(-c2cnc3ccccc3n2)cc1)C(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C27H25FN4O2/c1-19(27(33)32-16-14-31(15-17-32)26-9-5-2-6-22(26)28)34-21-12-10-20(11-13-21)25-18-29-23-7-3-4-8-24(23)30-25/h2-13,18-19H,14-17H2,1H3/t19-/m1/s1
InChIKeyBPSCPCGHCCRBPL-LJQANCHMSA-N
MW456.52 g/mol
LogP4.55
Rot. Bonds5

About (2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-quinoxalin-2-ylphenoxy)propan-1-one

(2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-quinoxalin-2-ylphenoxy)propan-1-one (PubChem CID 93072543) has the molecular formula C27H25FN4O2 and a molecular weight of 456.52 g/mol. Its IUPAC name is (2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-quinoxalin-2-ylphenoxy)propan-1-one.

Molecular Properties

Compound Name(2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-quinoxalin-2-ylphenoxy)propan-1-one
PubChem CID93072543
Molecular FormulaC27H25FN4O2
Molecular Weight456.52 g/mol
Exact Mass456.20
IUPAC Name(2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-quinoxalin-2-ylphenoxy)propan-1-one
SMILESC[C@@H](Oc1ccc(-c2cnc3ccccc3n2)cc1)C(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C27H25FN4O2/c1-19(27(33)32-16-14-31(15-17-32)26-9-5-2-6-22(26)28)34-21-12-10-20(11-13-21)25-18-29-23-7-3-4-8-24(23)30-25/h2-13,18-19H,14-17H2,1H3/t19-/m1/s1
InChIKeyBPSCPCGHCCRBPL-LJQANCHMSA-N
XLogP4.55
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-quinoxalin-2-ylphenoxy)propan-1-one with MolForge

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Related Compounds

1-(4-methylpiperazin-1-yl)-2-(4-quinoxalin-2-ylphenoxy)propan-1-one
CID 53001293
(2R)-2-(4-chlorophenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 40697011
2-(4-propan-2-ylphenoxy)-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-1-one
CID 108764012
(2S)-N-propan-2-yl-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086695
(2R)-N-(4-fluorophenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086673
(2R)-N-(3,4-difluorophenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086749
2-(2,4-difluorophenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 17217725
2-(4-phenylphenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 17249391
1-[4-[6-(4-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]-2-(4-methoxyphenoxy)propan-1-one
CID 121107235
(2R)-N-(3-fluoro-4-methylphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086738
(2R)-N-propyl-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086696
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-sulfanylpropan-1-one
CID 107023626

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-quinoxalin-2-ylphenoxy)propan-1-one?
The IUPAC name of (2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-quinoxalin-2-ylphenoxy)propan-1-one (CID 93072543) is (2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-quinoxalin-2-ylphenoxy)propan-1-one.
What is the SMILES notation for (2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-quinoxalin-2-ylphenoxy)propan-1-one?
The canonical SMILES for (2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-quinoxalin-2-ylphenoxy)propan-1-one is C[C@@H](Oc1ccc(-c2cnc3ccccc3n2)cc1)C(=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of (2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-quinoxalin-2-ylphenoxy)propan-1-one?
The InChIKey is BPSCPCGHCCRBPL-LJQANCHMSA-N. The full InChI is InChI=1S/C27H25FN4O2/c1-19(27(33)32-16-14-31(15-17-32)26-9-5-2-6-22(26)28)34-21-12-10-20(11-13-21)25-18-29-23-7-3-4-8-24(23)30-25/h2-13,18-19H,14-17H2,1H3/t19-/m1/s1.
What are the key properties of (2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-quinoxalin-2-ylphenoxy)propan-1-one?
(2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-quinoxalin-2-ylphenoxy)propan-1-one has a molecular weight of 456.52 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-quinoxalin-2-ylphenoxy)propan-1-one is sourced from PubChem (CID 93072543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).