[1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea

C22H28N4O2 — CID 4782745

IUPAC[1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea
SMILESCc1cccc(N2CCN(C(=O)C(Cc3ccccc3)NC(N)=O)CC2)c1C
InChIInChI=1S/C22H28N4O2/c1-16-7-6-10-20(17(16)2)25-11-13-26(14-12-25)21(27)19(24-22(23)28)15-18-8-4-3-5-9-18/h3-10,19H,11-15H2,1-2H3,(H3,23,24,28)
InChIKeyWFNWOOKZFGPZBZ-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.23
Rot. Bonds5

About [1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea

[1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea (PubChem CID 4782745) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is [1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea.

Molecular Properties

Compound Name[1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea
PubChem CID4782745
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name[1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea
SMILESCc1cccc(N2CCN(C(=O)C(Cc3ccccc3)NC(N)=O)CC2)c1C
InChIInChI=1S/C22H28N4O2/c1-16-7-6-10-20(17(16)2)25-11-13-26(14-12-25)21(27)19(24-22(23)28)15-18-8-4-3-5-9-18/h3-10,19H,11-15H2,1-2H3,(H3,23,24,28)
InChIKeyWFNWOOKZFGPZBZ-UHFFFAOYSA-N
XLogP2.23
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea?
The IUPAC name of [1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea (CID 4782745) is [1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea.
What is the SMILES notation for [1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea?
The canonical SMILES for [1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea is Cc1cccc(N2CCN(C(=O)C(Cc3ccccc3)NC(N)=O)CC2)c1C.
What is the InChIKey of [1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea?
The InChIKey is WFNWOOKZFGPZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-16-7-6-10-20(17(16)2)25-11-13-26(14-12-25)21(27)19(24-22(23)28)15-18-8-4-3-5-9-18/h3-10,19H,11-15H2,1-2H3,(H3,23,24,28).
What are the key properties of [1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea?
[1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea has a molecular weight of 380.49 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea is sourced from PubChem (CID 4782745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).