[(2R)-1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea

C22H25FN4O3 — CID 30475916

IUPAC[(2R)-1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea
SMILESCC(=O)c1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(N)=O)CC2)c(F)c1
InChIInChI=1S/C22H25FN4O3/c1-15(28)17-7-8-20(18(23)14-17)26-9-11-27(12-10-26)21(29)19(25-22(24)30)13-16-5-3-2-4-6-16/h2-8,14,19H,9-13H2,1H3,(H3,24,25,30)/t19-/m1/s1
InChIKeyQFZZPCOQOZVHPH-LJQANCHMSA-N
MW412.47 g/mol
LogP1.96
Rot. Bonds6

About [(2R)-1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea

[(2R)-1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea (PubChem CID 30475916) has the molecular formula C22H25FN4O3 and a molecular weight of 412.47 g/mol. Its IUPAC name is [(2R)-1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea.

Molecular Properties

Compound Name[(2R)-1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea
PubChem CID30475916
Molecular FormulaC22H25FN4O3
Molecular Weight412.47 g/mol
Exact Mass412.19
IUPAC Name[(2R)-1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea
SMILESCC(=O)c1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(N)=O)CC2)c(F)c1
InChIInChI=1S/C22H25FN4O3/c1-15(28)17-7-8-20(18(23)14-17)26-9-11-27(12-10-26)21(29)19(25-22(24)30)13-16-5-3-2-4-6-16/h2-8,14,19H,9-13H2,1H3,(H3,24,25,30)/t19-/m1/s1
InChIKeyQFZZPCOQOZVHPH-LJQANCHMSA-N
XLogP1.96
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea
CID 30475476
[(1R)-3-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]urea
CID 41305117
(2R)-1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-aminopropan-1-one;dihydrochloride
CID 119836978
benzyl N-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 74307056
1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-anilinoethanone;dihydrochloride
CID 119836972
tert-butyl N-[(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 31806428
[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 3-phenylpropanoate
CID 41162681
N-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide
CID 45370048
N-[1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 55435428
N-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 43888907
3,4-difluoro-N-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]benzamide
CID 110347258
4-(4-acetyl-2-fluorophenyl)-N-(6-methylheptan-2-yl)piperazine-1-carboxamide
CID 42954156

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea?
The IUPAC name of [(2R)-1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea (CID 30475916) is [(2R)-1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea.
What is the SMILES notation for [(2R)-1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea?
The canonical SMILES for [(2R)-1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea is CC(=O)c1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(N)=O)CC2)c(F)c1.
What is the InChIKey of [(2R)-1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea?
The InChIKey is QFZZPCOQOZVHPH-LJQANCHMSA-N. The full InChI is InChI=1S/C22H25FN4O3/c1-15(28)17-7-8-20(18(23)14-17)26-9-11-27(12-10-26)21(29)19(25-22(24)30)13-16-5-3-2-4-6-16/h2-8,14,19H,9-13H2,1H3,(H3,24,25,30)/t19-/m1/s1.
What are the key properties of [(2R)-1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea?
[(2R)-1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea has a molecular weight of 412.47 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea is sourced from PubChem (CID 30475916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).