1-(4-acetylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea

C20H24N4O2 — CID 108992269

IUPAC1-(4-acetylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
SMILESCC(=O)c1ccc(NC(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1
InChIInChI=1S/C20H24N4O2/c1-15(25)16-3-5-17(6-4-16)21-20(26)22-18-7-9-19(10-8-18)24-13-11-23(2)12-14-24/h3-10H,11-14H2,1-2H3,(H2,21,22,26)
InChIKeyUJVZJGOMJPZCPG-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.29
Rot. Bonds4

About 1-(4-acetylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea

1-(4-acetylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea (PubChem CID 108992269) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
PubChem CID108992269
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name1-(4-acetylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
SMILESCC(=O)c1ccc(NC(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1
InChIInChI=1S/C20H24N4O2/c1-15(25)16-3-5-17(6-4-16)21-20(26)22-18-7-9-19(10-8-18)24-13-11-23(2)12-14-24/h3-10H,11-14H2,1-2H3,(H2,21,22,26)
InChIKeyUJVZJGOMJPZCPG-UHFFFAOYSA-N
XLogP3.29
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-(4-acetylphenyl)-3-(4-pyrrolidin-1-ylphenyl)urea
CID 108992265
1-(4-tert-butylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 58441741
1-amino-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 2768327
1-(2,6-dimethylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 108991406
1-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3-oxobutyl)urea
CID 108895148
N-(4-acetylphenyl)-4-methylpiperazine-1-carboxamide
CID 47127479
1-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridin-3-ylurea
CID 48759640
1-(3,4-dimethoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 108866230
N-(4-acetylphenyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108956184
methyl 4-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]benzoate
CID 30857065
1-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1,2-oxazol-5-yl)urea
CID 108814112
2-hydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 83768240

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea?
The IUPAC name of 1-(4-acetylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea (CID 108992269) is 1-(4-acetylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea is CC(=O)c1ccc(NC(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea?
The InChIKey is UJVZJGOMJPZCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-15(25)16-3-5-17(6-4-16)21-20(26)22-18-7-9-19(10-8-18)24-13-11-23(2)12-14-24/h3-10H,11-14H2,1-2H3,(H2,21,22,26).
What are the key properties of 1-(4-acetylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea?
1-(4-acetylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea has a molecular weight of 352.44 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea is sourced from PubChem (CID 108992269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).