1-(2,4-dimethoxyphenyl)-3-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]urea

C24H33N3O4 — CID 14514739

IUPAC1-(2,4-dimethoxyphenyl)-3-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]urea
SMILESCOc1ccc(NC(=O)NCCCOc2cccc(CN3CCCCC3)c2)c(OC)c1
InChIInChI=1S/C24H33N3O4/c1-29-20-10-11-22(23(17-20)30-2)26-24(28)25-12-7-15-31-21-9-6-8-19(16-21)18-27-13-4-3-5-14-27/h6,8-11,16-17H,3-5,7,12-15,18H2,1-2H3,(H2,25,26,28)
InChIKeyURRSRVUDGCPBSR-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.28
Rot. Bonds10

About 1-(2,4-dimethoxyphenyl)-3-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]urea

1-(2,4-dimethoxyphenyl)-3-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]urea (PubChem CID 14514739) has the molecular formula C24H33N3O4 and a molecular weight of 427.55 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]urea.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]urea
PubChem CID14514739
Molecular FormulaC24H33N3O4
Molecular Weight427.55 g/mol
Exact Mass427.25
IUPAC Name1-(2,4-dimethoxyphenyl)-3-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]urea
SMILESCOc1ccc(NC(=O)NCCCOc2cccc(CN3CCCCC3)c2)c(OC)c1
InChIInChI=1S/C24H33N3O4/c1-29-20-10-11-22(23(17-20)30-2)26-24(28)25-12-7-15-31-21-9-6-8-19(16-21)18-27-13-4-3-5-14-27/h6,8-11,16-17H,3-5,7,12-15,18H2,1-2H3,(H2,25,26,28)
InChIKeyURRSRVUDGCPBSR-UHFFFAOYSA-N
XLogP4.28
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(2,4-dimethoxyphenyl)-3-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]urea?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]urea (CID 14514739) is 1-(2,4-dimethoxyphenyl)-3-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]urea.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]urea?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]urea is COc1ccc(NC(=O)NCCCOc2cccc(CN3CCCCC3)c2)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]urea?
The InChIKey is URRSRVUDGCPBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4/c1-29-20-10-11-22(23(17-20)30-2)26-24(28)25-12-7-15-31-21-9-6-8-19(16-21)18-27-13-4-3-5-14-27/h6,8-11,16-17H,3-5,7,12-15,18H2,1-2H3,(H2,25,26,28).
What are the key properties of 1-(2,4-dimethoxyphenyl)-3-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]urea?
1-(2,4-dimethoxyphenyl)-3-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]urea has a molecular weight of 427.55 g/mol, XLogP of 4.28, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-3-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]urea is sourced from PubChem (CID 14514739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).