1-(2-methoxy-5-methylphenyl)-3-(4-piperazin-1-ylphenyl)urea

C19H24N4O2 — CID 69447816

IUPAC1-(2-methoxy-5-methylphenyl)-3-(4-piperazin-1-ylphenyl)urea
SMILESCOc1ccc(C)cc1NC(=O)Nc1ccc(N2CCNCC2)cc1
InChIInChI=1S/C19H24N4O2/c1-14-3-8-18(25-2)17(13-14)22-19(24)21-15-4-6-16(7-5-15)23-11-9-20-10-12-23/h3-8,13,20H,9-12H2,1-2H3,(H2,21,22,24)
InChIKeyGQJLKOODPZTKTP-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.06
Rot. Bonds4

About 1-(2-methoxy-5-methylphenyl)-3-(4-piperazin-1-ylphenyl)urea

1-(2-methoxy-5-methylphenyl)-3-(4-piperazin-1-ylphenyl)urea (PubChem CID 69447816) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-3-(4-piperazin-1-ylphenyl)urea.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-3-(4-piperazin-1-ylphenyl)urea
PubChem CID69447816
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-(2-methoxy-5-methylphenyl)-3-(4-piperazin-1-ylphenyl)urea
SMILESCOc1ccc(C)cc1NC(=O)Nc1ccc(N2CCNCC2)cc1
InChIInChI=1S/C19H24N4O2/c1-14-3-8-18(25-2)17(13-14)22-19(24)21-15-4-6-16(7-5-15)23-11-9-20-10-12-23/h3-8,13,20H,9-12H2,1-2H3,(H2,21,22,24)
InChIKeyGQJLKOODPZTKTP-UHFFFAOYSA-N
XLogP3.06
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.06
H-Bond Donors ≤ 53
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-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)urea
CID 16640797
N'-(3-methoxy-2,5-dimethylphenyl)-N-(4-piperazin-1-ylphenyl)oxamide
CID 167885279
1-(2-methoxy-3-methylphenyl)-3-(4-piperazin-1-ylphenyl)urea
CID 69451114
1-(4-bromophenyl)-3-(2-methoxy-5-methylphenyl)urea
CID 17284854
1-N'-(2-methoxy-5-methylphenyl)-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108983207
methyl 4-[(2-methoxy-5-methylphenyl)carbamoylamino]benzoate
CID 108992050
N-[2-chloro-6-(trifluoromethyl)phenyl]-4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]piperazine-1-carboxamide
CID 91192403
1-[4-(4-hydroxycyclohexyl)phenyl]-3-(2-methoxy-5-methylphenyl)urea
CID 71072413
2-(2-methoxy-5-methylanilino)-N-(4-morpholin-4-ylphenyl)acetamide
CID 9099925
1-(2-ethoxyphenyl)-3-(4-piperazin-1-ylphenyl)urea
CID 69448711
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-pyrrolidin-1-ylphenyl)urea
CID 108992500
N-(2-methoxy-5-methylphenyl)-3-piperazin-1-ylpropanamide
CID 28807979

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-(4-piperazin-1-ylphenyl)urea?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-(4-piperazin-1-ylphenyl)urea (CID 69447816) is 1-(2-methoxy-5-methylphenyl)-3-(4-piperazin-1-ylphenyl)urea.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-3-(4-piperazin-1-ylphenyl)urea?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-3-(4-piperazin-1-ylphenyl)urea is COc1ccc(C)cc1NC(=O)Nc1ccc(N2CCNCC2)cc1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-3-(4-piperazin-1-ylphenyl)urea?
The InChIKey is GQJLKOODPZTKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-14-3-8-18(25-2)17(13-14)22-19(24)21-15-4-6-16(7-5-15)23-11-9-20-10-12-23/h3-8,13,20H,9-12H2,1-2H3,(H2,21,22,24).
What are the key properties of 1-(2-methoxy-5-methylphenyl)-3-(4-piperazin-1-ylphenyl)urea?
1-(2-methoxy-5-methylphenyl)-3-(4-piperazin-1-ylphenyl)urea has a molecular weight of 340.43 g/mol, XLogP of 3.06, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-3-(4-piperazin-1-ylphenyl)urea is sourced from PubChem (CID 69447816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).