1-(3-methoxyphenyl)-3-[3-[3-(2-phenylethyl)piperidin-1-yl]propyl]urea

C24H33N3O2 — CID 22393375

IUPAC1-(3-methoxyphenyl)-3-[3-[3-(2-phenylethyl)piperidin-1-yl]propyl]urea
SMILESCOc1cccc(NC(=O)NCCCN2CCCC(CCc3ccccc3)C2)c1
InChIInChI=1S/C24H33N3O2/c1-29-23-12-5-11-22(18-23)26-24(28)25-15-7-17-27-16-6-10-21(19-27)14-13-20-8-3-2-4-9-20/h2-5,8-9,11-12,18,21H,6-7,10,13-17,19H2,1H3,(H2,25,26,28)
InChIKeyLLXUCLCWOOURAA-UHFFFAOYSA-N
MW395.55 g/mol
LogP4.55
Rot. Bonds9

About 1-(3-methoxyphenyl)-3-[3-[3-(2-phenylethyl)piperidin-1-yl]propyl]urea

1-(3-methoxyphenyl)-3-[3-[3-(2-phenylethyl)piperidin-1-yl]propyl]urea (PubChem CID 22393375) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-[3-[3-(2-phenylethyl)piperidin-1-yl]propyl]urea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-[3-[3-(2-phenylethyl)piperidin-1-yl]propyl]urea
PubChem CID22393375
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name1-(3-methoxyphenyl)-3-[3-[3-(2-phenylethyl)piperidin-1-yl]propyl]urea
SMILESCOc1cccc(NC(=O)NCCCN2CCCC(CCc3ccccc3)C2)c1
InChIInChI=1S/C24H33N3O2/c1-29-23-12-5-11-22(18-23)26-24(28)25-15-7-17-27-16-6-10-21(19-27)14-13-20-8-3-2-4-9-20/h2-5,8-9,11-12,18,21H,6-7,10,13-17,19H2,1H3,(H2,25,26,28)
InChIKeyLLXUCLCWOOURAA-UHFFFAOYSA-N
XLogP4.55
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3-methoxyphenyl)-3-[3-[3-(2-phenylethyl)piperidin-1-yl]propyl]urea with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-[3-[3-(2-phenylethyl)piperidin-1-yl]propyl]urea?
The IUPAC name of 1-(3-methoxyphenyl)-3-[3-[3-(2-phenylethyl)piperidin-1-yl]propyl]urea (CID 22393375) is 1-(3-methoxyphenyl)-3-[3-[3-(2-phenylethyl)piperidin-1-yl]propyl]urea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-[3-[3-(2-phenylethyl)piperidin-1-yl]propyl]urea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-[3-[3-(2-phenylethyl)piperidin-1-yl]propyl]urea is COc1cccc(NC(=O)NCCCN2CCCC(CCc3ccccc3)C2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-[3-[3-(2-phenylethyl)piperidin-1-yl]propyl]urea?
The InChIKey is LLXUCLCWOOURAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-29-23-12-5-11-22(18-23)26-24(28)25-15-7-17-27-16-6-10-21(19-27)14-13-20-8-3-2-4-9-20/h2-5,8-9,11-12,18,21H,6-7,10,13-17,19H2,1H3,(H2,25,26,28).
What are the key properties of 1-(3-methoxyphenyl)-3-[3-[3-(2-phenylethyl)piperidin-1-yl]propyl]urea?
1-(3-methoxyphenyl)-3-[3-[3-(2-phenylethyl)piperidin-1-yl]propyl]urea has a molecular weight of 395.55 g/mol, XLogP of 4.55, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-[3-[3-(2-phenylethyl)piperidin-1-yl]propyl]urea is sourced from PubChem (CID 22393375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).