1-ethyl-1-methyl-3-(4-piperazin-1-ylphenyl)urea

C14H22N4O — CID 79159730

IUPAC1-ethyl-1-methyl-3-(4-piperazin-1-ylphenyl)urea
SMILESCCN(C)C(=O)Nc1ccc(N2CCNCC2)cc1
InChIInChI=1S/C14H22N4O/c1-3-17(2)14(19)16-12-4-6-13(7-5-12)18-10-8-15-9-11-18/h4-7,15H,3,8-11H2,1-2H3,(H,16,19)
InChIKeyAXXOVDOLAYCZRI-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.58
Rot. Bonds3

About 1-ethyl-1-methyl-3-(4-piperazin-1-ylphenyl)urea

1-ethyl-1-methyl-3-(4-piperazin-1-ylphenyl)urea (PubChem CID 79159730) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-ethyl-1-methyl-3-(4-piperazin-1-ylphenyl)urea.

Molecular Properties

Compound Name1-ethyl-1-methyl-3-(4-piperazin-1-ylphenyl)urea
PubChem CID79159730
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name1-ethyl-1-methyl-3-(4-piperazin-1-ylphenyl)urea
SMILESCCN(C)C(=O)Nc1ccc(N2CCNCC2)cc1
InChIInChI=1S/C14H22N4O/c1-3-17(2)14(19)16-12-4-6-13(7-5-12)18-10-8-15-9-11-18/h4-7,15H,3,8-11H2,1-2H3,(H,16,19)
InChIKeyAXXOVDOLAYCZRI-UHFFFAOYSA-N
XLogP1.58
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-1-methyl-3-[4-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 78917136
2-bromo-N-(4-piperazin-1-ylphenyl)propanamide
CID 57161707
N-(4-piperazin-1-ylphenyl)pyrrolidine-1-carboxamide
CID 79160722
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(4-piperidin-1-ylphenyl)urea
CID 109396901
3-(4-fluorophenyl)-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]urea
CID 27734751
2-cyclobutyl-N-(4-piperazin-1-ylphenyl)acetamide
CID 103162243
1-ethyl-1-methyl-3-(4-phenylphenyl)urea
CID 115603727
1-(2-ethoxyphenyl)-3-(4-piperazin-1-ylphenyl)urea
CID 69448711
3-(3,5-dimethoxyphenyl)-1-methyl-1-[6-(4-piperazin-1-ylanilino)pyrimidin-4-yl]urea
CID 164788089
4-pent-1-enyl-N-(4-piperazin-1-ylphenyl)benzamide
CID 72581664
1-ethyl-1-phenyl-3-(4-piperidin-1-ylphenyl)urea
CID 108991537
3-phenyl-N-(4-piperazin-1-ylphenyl)-1-propylpyrazole-5-carboxamide
CID 66738117

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-methyl-3-(4-piperazin-1-ylphenyl)urea?
The IUPAC name of 1-ethyl-1-methyl-3-(4-piperazin-1-ylphenyl)urea (CID 79159730) is 1-ethyl-1-methyl-3-(4-piperazin-1-ylphenyl)urea.
What is the SMILES notation for 1-ethyl-1-methyl-3-(4-piperazin-1-ylphenyl)urea?
The canonical SMILES for 1-ethyl-1-methyl-3-(4-piperazin-1-ylphenyl)urea is CCN(C)C(=O)Nc1ccc(N2CCNCC2)cc1.
What is the InChIKey of 1-ethyl-1-methyl-3-(4-piperazin-1-ylphenyl)urea?
The InChIKey is AXXOVDOLAYCZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-3-17(2)14(19)16-12-4-6-13(7-5-12)18-10-8-15-9-11-18/h4-7,15H,3,8-11H2,1-2H3,(H,16,19).
What are the key properties of 1-ethyl-1-methyl-3-(4-piperazin-1-ylphenyl)urea?
1-ethyl-1-methyl-3-(4-piperazin-1-ylphenyl)urea has a molecular weight of 262.36 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-methyl-3-(4-piperazin-1-ylphenyl)urea is sourced from PubChem (CID 79159730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).