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

C22H26N4O3 — CID 30475476

IUPAC[(2R)-1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea
SMILESCC(=O)c1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(N)=O)CC2)cc1
InChIInChI=1S/C22H26N4O3/c1-16(27)18-7-9-19(10-8-18)25-11-13-26(14-12-25)21(28)20(24-22(23)29)15-17-5-3-2-4-6-17/h2-10,20H,11-15H2,1H3,(H3,23,24,29)/t20-/m1/s1
InChIKeyICFYLDHXLSQWOM-HXUWFJFHSA-N
MW394.48 g/mol
LogP1.82
Rot. Bonds6

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

[(2R)-1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea (PubChem CID 30475476) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is [(2R)-1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea.

Molecular Properties

Compound Name[(2R)-1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea
PubChem CID30475476
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name[(2R)-1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea
SMILESCC(=O)c1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(N)=O)CC2)cc1
InChIInChI=1S/C22H26N4O3/c1-16(27)18-7-9-19(10-8-18)25-11-13-26(14-12-25)21(28)20(24-22(23)29)15-17-5-3-2-4-6-17/h2-10,20H,11-15H2,1H3,(H3,23,24,29)/t20-/m1/s1
InChIKeyICFYLDHXLSQWOM-HXUWFJFHSA-N
XLogP1.82
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea
CID 30475916
4-chloro-N-[1-[4-(4-hydroxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 112763066
N-[(2S)-1-[4-(4-acetylphenyl)piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 35012736
N-[(2S)-1-[4-(4-acetylphenyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]-2,2-diphenylacetamide
CID 6723193
2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 8591554
N-[1-[4-(4-hydroxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 112763178
[(2S)-4-methylsulfanyl-1-oxo-1-(4-phenylpiperazin-1-yl)butan-2-yl]urea
CID 9339131
N-[1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 46524297
N-[1-oxo-3-phenyl-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzenesulfonamide
CID 43888849
[1-(3-azaspiro[5.5]undecan-3-yl)-1-oxo-3-phenylpropan-2-yl]urea
CID 134813321
N-[(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 38574785
4-chloro-N-[1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 55447451

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea?
The IUPAC name of [(2R)-1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea (CID 30475476) is [(2R)-1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea.
What is the SMILES notation for [(2R)-1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea?
The canonical SMILES for [(2R)-1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea is CC(=O)c1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(N)=O)CC2)cc1.
What is the InChIKey of [(2R)-1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea?
The InChIKey is ICFYLDHXLSQWOM-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-16(27)18-7-9-19(10-8-18)25-11-13-26(14-12-25)21(28)20(24-22(23)29)15-17-5-3-2-4-6-17/h2-10,20H,11-15H2,1H3,(H3,23,24,29)/t20-/m1/s1.
What are the key properties of [(2R)-1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea?
[(2R)-1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea has a molecular weight of 394.48 g/mol, XLogP of 1.82, 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-acetylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea is sourced from PubChem (CID 30475476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).