1-(4-methoxyphenyl)-3-(4-methylpiperazin-1-yl)urea

C13H20N4O2 — CID 17263389

IUPAC1-(4-methoxyphenyl)-3-(4-methylpiperazin-1-yl)urea
SMILESCOc1ccc(NC(=O)NN2CCN(C)CC2)cc1
InChIInChI=1S/C13H20N4O2/c1-16-7-9-17(10-8-16)15-13(18)14-11-3-5-12(19-2)6-4-11/h3-6H,7-10H2,1-2H3,(H2,14,15,18)
InChIKeyOXCNOKFHYLSZRF-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.98
Rot. Bonds3

About 1-(4-methoxyphenyl)-3-(4-methylpiperazin-1-yl)urea

1-(4-methoxyphenyl)-3-(4-methylpiperazin-1-yl)urea (PubChem CID 17263389) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(4-methylpiperazin-1-yl)urea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(4-methylpiperazin-1-yl)urea
PubChem CID17263389
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name1-(4-methoxyphenyl)-3-(4-methylpiperazin-1-yl)urea
SMILESCOc1ccc(NC(=O)NN2CCN(C)CC2)cc1
InChIInChI=1S/C13H20N4O2/c1-16-7-9-17(10-8-16)15-13(18)14-11-3-5-12(19-2)6-4-11/h3-6H,7-10H2,1-2H3,(H2,14,15,18)
InChIKeyOXCNOKFHYLSZRF-UHFFFAOYSA-N
XLogP0.98
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(4-methylpiperazin-1-yl)urea?
The IUPAC name of 1-(4-methoxyphenyl)-3-(4-methylpiperazin-1-yl)urea (CID 17263389) is 1-(4-methoxyphenyl)-3-(4-methylpiperazin-1-yl)urea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(4-methylpiperazin-1-yl)urea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(4-methylpiperazin-1-yl)urea is COc1ccc(NC(=O)NN2CCN(C)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(4-methylpiperazin-1-yl)urea?
The InChIKey is OXCNOKFHYLSZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-16-7-9-17(10-8-16)15-13(18)14-11-3-5-12(19-2)6-4-11/h3-6H,7-10H2,1-2H3,(H2,14,15,18).
What are the key properties of 1-(4-methoxyphenyl)-3-(4-methylpiperazin-1-yl)urea?
1-(4-methoxyphenyl)-3-(4-methylpiperazin-1-yl)urea has a molecular weight of 264.33 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(4-methylpiperazin-1-yl)urea is sourced from PubChem (CID 17263389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).