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

C19H24N4O2 — CID 48740743

IUPAC1-(3-methoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
SMILESCOc1cccc(NC(=O)Nc2ccc(N3CCN(C)CC3)cc2)c1
InChIInChI=1S/C19H24N4O2/c1-22-10-12-23(13-11-22)17-8-6-15(7-9-17)20-19(24)21-16-4-3-5-18(14-16)25-2/h3-9,14H,10-13H2,1-2H3,(H2,20,21,24)
InChIKeyUVBMMXIYNDIXKL-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.09
Rot. Bonds4

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

1-(3-methoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea (PubChem CID 48740743) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
PubChem CID48740743
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-(3-methoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
SMILESCOc1cccc(NC(=O)Nc2ccc(N3CCN(C)CC3)cc2)c1
InChIInChI=1S/C19H24N4O2/c1-22-10-12-23(13-11-22)17-8-6-15(7-9-17)20-19(24)21-16-4-3-5-18(14-16)25-2/h3-9,14H,10-13H2,1-2H3,(H2,20,21,24)
InChIKeyUVBMMXIYNDIXKL-UHFFFAOYSA-N
XLogP3.09
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.09
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

3-(3-methoxyanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 109039569
1-(3,4-dimethoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 108866230
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
1-(2,6-dimethylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 108991406
4-[(3-methoxyphenyl)carbamoylamino]benzoic acid
CID 4286151
1-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridin-3-ylurea
CID 48759640
1-(3-methoxyphenyl)-3-[4-[5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]phenyl]urea
CID 135489409
N'-(3-acetamidophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108526491
1-(3-methoxyphenyl)-3-[3-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]urea
CID 170861674
1-(3-methoxyphenyl)-3-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]urea
CID 100746610
N-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 6469276
1-(4-tert-butylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 58441741

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea?
The IUPAC name of 1-(3-methoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea (CID 48740743) is 1-(3-methoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea is COc1cccc(NC(=O)Nc2ccc(N3CCN(C)CC3)cc2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea?
The InChIKey is UVBMMXIYNDIXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-22-10-12-23(13-11-22)17-8-6-15(7-9-17)20-19(24)21-16-4-3-5-18(14-16)25-2/h3-9,14H,10-13H2,1-2H3,(H2,20,21,24).
What are the key properties of 1-(3-methoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea?
1-(3-methoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea has a molecular weight of 340.43 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea is sourced from PubChem (CID 48740743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).