1-[(2S)-4-(3-fluorobenzoyl)-2-phenylpiperazin-1-yl]ethanone

C19H19FN2O2 — CID 124991694

IUPAC1-[(2S)-4-(3-fluorobenzoyl)-2-phenylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cccc(F)c2)C[C@@H]1c1ccccc1
InChIInChI=1S/C19H19FN2O2/c1-14(23)22-11-10-21(13-18(22)15-6-3-2-4-7-15)19(24)16-8-5-9-17(20)12-16/h2-9,12,18H,10-11,13H2,1H3/t18-/m1/s1
InChIKeyPLEZWQFJMQFRHD-GOSISDBHSA-N
MW326.37 g/mol
LogP2.87
Rot. Bonds2

About 1-[(2S)-4-(3-fluorobenzoyl)-2-phenylpiperazin-1-yl]ethanone

1-[(2S)-4-(3-fluorobenzoyl)-2-phenylpiperazin-1-yl]ethanone (PubChem CID 124991694) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is 1-[(2S)-4-(3-fluorobenzoyl)-2-phenylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-4-(3-fluorobenzoyl)-2-phenylpiperazin-1-yl]ethanone
PubChem CID124991694
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name1-[(2S)-4-(3-fluorobenzoyl)-2-phenylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cccc(F)c2)C[C@@H]1c1ccccc1
InChIInChI=1S/C19H19FN2O2/c1-14(23)22-11-10-21(13-18(22)15-6-3-2-4-7-15)19(24)16-8-5-9-17(20)12-16/h2-9,12,18H,10-11,13H2,1H3/t18-/m1/s1
InChIKeyPLEZWQFJMQFRHD-GOSISDBHSA-N
XLogP2.87
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-4-[3-[(3-fluorophenyl)methoxy]benzoyl]-2-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 124975618
(4-cyclopropyl-2-phenylpiperazin-1-yl)-(3-fluorophenyl)methanone
CID 90566717
1-[4-(2-methylbenzoyl)-2-phenylpiperazin-1-yl]ethanone
CID 110109594
(3-fluorophenyl)-(3-phenylazepan-1-yl)methanone
CID 90608444
1-[(2S)-4-[3-(2-morpholin-4-ylethoxy)benzoyl]-2-phenylpiperazin-1-yl]ethanone
CID 129454849
1-[4-(6-methylpyridine-2-carbonyl)-2-phenylpiperazin-1-yl]ethanone
CID 110098378
1-[(2R)-4-(1-ethylpyrazole-4-carbonyl)-2-phenylpiperazin-1-yl]ethanone
CID 124987763
methyl (2R)-2-[[(2R)-1-acetyl-4-(3-fluorobenzoyl)piperazine-2-carbonyl]amino]propanoate
CID 163074423
(3-fluorophenyl)-[(2R)-2-phenylpiperazin-1-yl]methanone
CID 94997806
(3-fluorophenyl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone
CID 110365297
1-[(2R)-2-phenyl-4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone
CID 124976976
1-[(2R)-4-(3-methylpyridine-2-carbonyl)-2-phenylpiperazin-1-yl]ethanone
CID 124948188

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4-(3-fluorobenzoyl)-2-phenylpiperazin-1-yl]ethanone?
The IUPAC name of 1-[(2S)-4-(3-fluorobenzoyl)-2-phenylpiperazin-1-yl]ethanone (CID 124991694) is 1-[(2S)-4-(3-fluorobenzoyl)-2-phenylpiperazin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S)-4-(3-fluorobenzoyl)-2-phenylpiperazin-1-yl]ethanone?
The canonical SMILES for 1-[(2S)-4-(3-fluorobenzoyl)-2-phenylpiperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2cccc(F)c2)C[C@@H]1c1ccccc1.
What is the InChIKey of 1-[(2S)-4-(3-fluorobenzoyl)-2-phenylpiperazin-1-yl]ethanone?
The InChIKey is PLEZWQFJMQFRHD-GOSISDBHSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-14(23)22-11-10-21(13-18(22)15-6-3-2-4-7-15)19(24)16-8-5-9-17(20)12-16/h2-9,12,18H,10-11,13H2,1H3/t18-/m1/s1.
What are the key properties of 1-[(2S)-4-(3-fluorobenzoyl)-2-phenylpiperazin-1-yl]ethanone?
1-[(2S)-4-(3-fluorobenzoyl)-2-phenylpiperazin-1-yl]ethanone has a molecular weight of 326.37 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-4-(3-fluorobenzoyl)-2-phenylpiperazin-1-yl]ethanone is sourced from PubChem (CID 124991694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).