1-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-2-(4-fluorophenyl)ethanone

C20H21FN2O2 — CID 124964959

IUPAC1-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-2-(4-fluorophenyl)ethanone
SMILESCC(=O)N1CCN(C(=O)Cc2ccc(F)cc2)[C@H](c2ccccc2)C1
InChIInChI=1S/C20H21FN2O2/c1-15(24)22-11-12-23(19(14-22)17-5-3-2-4-6-17)20(25)13-16-7-9-18(21)10-8-16/h2-10,19H,11-14H2,1H3/t19-/m0/s1
InChIKeyIBJZXWAAMQBTAT-IBGZPJMESA-N
MW340.40 g/mol
LogP2.80
Rot. Bonds3

About 1-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-2-(4-fluorophenyl)ethanone

1-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-2-(4-fluorophenyl)ethanone (PubChem CID 124964959) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is 1-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-2-(4-fluorophenyl)ethanone
PubChem CID124964959
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name1-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-2-(4-fluorophenyl)ethanone
SMILESCC(=O)N1CCN(C(=O)Cc2ccc(F)cc2)[C@H](c2ccccc2)C1
InChIInChI=1S/C20H21FN2O2/c1-15(24)22-11-12-23(19(14-22)17-5-3-2-4-6-17)20(25)13-16-7-9-18(21)10-8-16/h2-10,19H,11-14H2,1H3/t19-/m0/s1
InChIKeyIBJZXWAAMQBTAT-IBGZPJMESA-N
XLogP2.80
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-4-acetyl-1-[2-(4-fluorophenyl)acetyl]-N,N-dimethylpiperazine-2-carboxamide
CID 125003622
1-[(2S)-4-acetyl-2-phenylpiperazin-1-yl]-3-methoxypropan-1-one
CID 125013501
1-[4-(4-acetyl-3-phenylpiperazine-1-carbonyl)-4-methylpiperidin-1-yl]-2-phenylethanone
CID 110151376
2-(2-fluorophenyl)-1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]ethanone
CID 38169510
(2R)-4-acetyl-N,N-dimethyl-1-(2-phenylacetyl)piperazine-2-carboxamide
CID 95826147
4-acetyl-N-methyl-1-(2-phenylacetyl)piperazine-2-carboxamide
CID 110257743
1-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 124963523
1-[(3S)-4-(oxane-4-carbonyl)-3-phenylpiperazin-1-yl]ethanone
CID 124947252
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 75841513
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 120741031
2-(4-fluorophenyl)-1-(5-methyl-2-phenylmorpholin-4-yl)ethanone
CID 110369331
2-(4-methoxyphenyl)-1-(2-phenylpiperazin-1-yl)ethanone
CID 110109133

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-2-(4-fluorophenyl)ethanone (CID 124964959) is 1-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-2-(4-fluorophenyl)ethanone is CC(=O)N1CCN(C(=O)Cc2ccc(F)cc2)[C@H](c2ccccc2)C1.
What is the InChIKey of 1-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-2-(4-fluorophenyl)ethanone?
The InChIKey is IBJZXWAAMQBTAT-IBGZPJMESA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-15(24)22-11-12-23(19(14-22)17-5-3-2-4-6-17)20(25)13-16-7-9-18(21)10-8-16/h2-10,19H,11-14H2,1H3/t19-/m0/s1.
What are the key properties of 1-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-2-(4-fluorophenyl)ethanone?
1-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-2-(4-fluorophenyl)ethanone has a molecular weight of 340.40 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 124964959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).