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

C20H25ClN4O — CID 22430326

IUPAC1-(4-chlorophenyl)-3-[3-(4-phenylpiperazin-1-yl)propyl]urea
SMILESO=C(NCCCN1CCN(c2ccccc2)CC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H25ClN4O/c21-17-7-9-18(10-8-17)23-20(26)22-11-4-12-24-13-15-25(16-14-24)19-5-2-1-3-6-19/h1-3,5-10H,4,11-16H2,(H2,22,23,26)
InChIKeyCHSDKFHIIHAXBH-UHFFFAOYSA-N
MW372.90 g/mol
LogP3.67
Rot. Bonds6

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

1-(4-chlorophenyl)-3-[3-(4-phenylpiperazin-1-yl)propyl]urea (PubChem CID 22430326) has the molecular formula C20H25ClN4O and a molecular weight of 372.90 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[3-(4-phenylpiperazin-1-yl)propyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[3-(4-phenylpiperazin-1-yl)propyl]urea
PubChem CID22430326
Molecular FormulaC20H25ClN4O
Molecular Weight372.90 g/mol
Exact Mass372.17
IUPAC Name1-(4-chlorophenyl)-3-[3-(4-phenylpiperazin-1-yl)propyl]urea
SMILESO=C(NCCCN1CCN(c2ccccc2)CC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H25ClN4O/c21-17-7-9-18(10-8-17)23-20(26)22-11-4-12-24-13-15-25(16-14-24)19-5-2-1-3-6-19/h1-3,5-10H,4,11-16H2,(H2,22,23,26)
InChIKeyCHSDKFHIIHAXBH-UHFFFAOYSA-N
XLogP3.67
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-4-methylphenyl)-3-[3-(4-phenylpiperazin-1-yl)propyl]urea
CID 22430349
N'-(4-chlorophenyl)-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]oxamide
CID 42389768
4-(4-chlorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]butanamide
CID 55778311
1-(4-chlorophenyl)-3-[3-(4-methylpiperidin-1-yl)propyl]urea
CID 27733890
2,5-dichloro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224466
N'-(2-chlorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]oxamide
CID 42390241
N'-(4-chlorophenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide
CID 42389939
1-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]-3-(4-sulfamoylphenyl)urea
CID 160562971
N'-(3-chloro-4-fluorophenyl)-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]oxamide
CID 42389821
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-N'-(4-ethoxyphenyl)oxamide
CID 42389794
1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 15989718
1-(2-methyl-1-oxoisoquinolin-4-yl)-3-[3-(4-phenylpiperazin-1-yl)propyl]urea
CID 22334724

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[3-(4-phenylpiperazin-1-yl)propyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[3-(4-phenylpiperazin-1-yl)propyl]urea (CID 22430326) is 1-(4-chlorophenyl)-3-[3-(4-phenylpiperazin-1-yl)propyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[3-(4-phenylpiperazin-1-yl)propyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[3-(4-phenylpiperazin-1-yl)propyl]urea is O=C(NCCCN1CCN(c2ccccc2)CC1)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[3-(4-phenylpiperazin-1-yl)propyl]urea?
The InChIKey is CHSDKFHIIHAXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O/c21-17-7-9-18(10-8-17)23-20(26)22-11-4-12-24-13-15-25(16-14-24)19-5-2-1-3-6-19/h1-3,5-10H,4,11-16H2,(H2,22,23,26).
What are the key properties of 1-(4-chlorophenyl)-3-[3-(4-phenylpiperazin-1-yl)propyl]urea?
1-(4-chlorophenyl)-3-[3-(4-phenylpiperazin-1-yl)propyl]urea has a molecular weight of 372.90 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[3-(4-phenylpiperazin-1-yl)propyl]urea is sourced from PubChem (CID 22430326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).