1-(4-ethoxyphenyl)-3-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]urea

C24H33N3O3 — CID 14514745

IUPAC1-(4-ethoxyphenyl)-3-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]urea
SMILESCCOc1ccc(NC(=O)NCCCOc2cccc(CN3CCCCC3)c2)cc1
InChIInChI=1S/C24H33N3O3/c1-2-29-22-12-10-21(11-13-22)26-24(28)25-14-7-17-30-23-9-6-8-20(18-23)19-27-15-4-3-5-16-27/h6,8-13,18H,2-5,7,14-17,19H2,1H3,(H2,25,26,28)
InChIKeyVGMNPCYWENQXQM-UHFFFAOYSA-N
MW411.55 g/mol
LogP4.66
Rot. Bonds10

About 1-(4-ethoxyphenyl)-3-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]urea

1-(4-ethoxyphenyl)-3-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]urea (PubChem CID 14514745) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]urea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]urea
PubChem CID14514745
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC Name1-(4-ethoxyphenyl)-3-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]urea
SMILESCCOc1ccc(NC(=O)NCCCOc2cccc(CN3CCCCC3)c2)cc1
InChIInChI=1S/C24H33N3O3/c1-2-29-22-12-10-21(11-13-22)26-24(28)25-14-7-17-30-23-9-6-8-20(18-23)19-27-15-4-3-5-16-27/h6,8-13,18H,2-5,7,14-17,19H2,1H3,(H2,25,26,28)
InChIKeyVGMNPCYWENQXQM-UHFFFAOYSA-N
XLogP4.66
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]urea?
The IUPAC name of 1-(4-ethoxyphenyl)-3-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]urea (CID 14514745) is 1-(4-ethoxyphenyl)-3-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]urea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]urea?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]urea is CCOc1ccc(NC(=O)NCCCOc2cccc(CN3CCCCC3)c2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]urea?
The InChIKey is VGMNPCYWENQXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-2-29-22-12-10-21(11-13-22)26-24(28)25-14-7-17-30-23-9-6-8-20(18-23)19-27-15-4-3-5-16-27/h6,8-13,18H,2-5,7,14-17,19H2,1H3,(H2,25,26,28).
What are the key properties of 1-(4-ethoxyphenyl)-3-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]urea?
1-(4-ethoxyphenyl)-3-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]urea has a molecular weight of 411.55 g/mol, XLogP of 4.66, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]urea is sourced from PubChem (CID 14514745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).