1-(3-chlorophenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea

C19H23ClN4O — CID 2212248

IUPAC1-(3-chlorophenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea
SMILESO=C(NCCN1CCN(c2ccccc2)CC1)Nc1cccc(Cl)c1
InChIInChI=1S/C19H23ClN4O/c20-16-5-4-6-17(15-16)22-19(25)21-9-10-23-11-13-24(14-12-23)18-7-2-1-3-8-18/h1-8,15H,9-14H2,(H2,21,22,25)
InChIKeyYCIJUAKRNMVHFQ-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.28
Rot. Bonds5

About 1-(3-chlorophenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea

1-(3-chlorophenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea (PubChem CID 2212248) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea
PubChem CID2212248
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC Name1-(3-chlorophenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea
SMILESO=C(NCCN1CCN(c2ccccc2)CC1)Nc1cccc(Cl)c1
InChIInChI=1S/C19H23ClN4O/c20-16-5-4-6-17(15-16)22-19(25)21-9-10-23-11-13-24(14-12-23)18-7-2-1-3-8-18/h1-8,15H,9-14H2,(H2,21,22,25)
InChIKeyYCIJUAKRNMVHFQ-UHFFFAOYSA-N
XLogP3.28
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Domperidone
CID 3151
1-(3-Chlorophenyl)piperazine
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CID 104607
N'-(3-Chlorophenyl)-N,N-dimethylurea
CID 11480
1-(3-Chlorophenyl)-3-cyclohexylurea
CID 751320
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SR1848
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1-(4-Chlorophenyl)-3-cyclohexylurea
CID 238899
1-(3-Chlorophenyl)-3-phenylurea
CID 295366
4-(3-Chlorophenylcarbamoyl)morpholine
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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea (CID 2212248) is 1-(3-chlorophenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea is O=C(NCCN1CCN(c2ccccc2)CC1)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea?
The InChIKey is YCIJUAKRNMVHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O/c20-16-5-4-6-17(15-16)22-19(25)21-9-10-23-11-13-24(14-12-23)18-7-2-1-3-8-18/h1-8,15H,9-14H2,(H2,21,22,25).
What are the key properties of 1-(3-chlorophenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea?
1-(3-chlorophenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea has a molecular weight of 358.87 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea is sourced from PubChem (CID 2212248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).