1-(3-ethoxyspiro[3.5]nonan-1-yl)-3-(1-methylpiperidin-4-yl)urea

C18H33N3O2 — CID 71861170

IUPAC1-(3-ethoxyspiro[3.5]nonan-1-yl)-3-(1-methylpiperidin-4-yl)urea
SMILESCCOC1CC(NC(=O)NC2CCN(C)CC2)C12CCCCC2
InChIInChI=1S/C18H33N3O2/c1-3-23-16-13-15(18(16)9-5-4-6-10-18)20-17(22)19-14-7-11-21(2)12-8-14/h14-16H,3-13H2,1-2H3,(H2,19,20,22)
InChIKeyQMMHDSZQZOTIBY-UHFFFAOYSA-N
MW323.48 g/mol
LogP2.51
Rot. Bonds4

About 1-(3-ethoxyspiro[3.5]nonan-1-yl)-3-(1-methylpiperidin-4-yl)urea

1-(3-ethoxyspiro[3.5]nonan-1-yl)-3-(1-methylpiperidin-4-yl)urea (PubChem CID 71861170) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is 1-(3-ethoxyspiro[3.5]nonan-1-yl)-3-(1-methylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-(3-ethoxyspiro[3.5]nonan-1-yl)-3-(1-methylpiperidin-4-yl)urea
PubChem CID71861170
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC Name1-(3-ethoxyspiro[3.5]nonan-1-yl)-3-(1-methylpiperidin-4-yl)urea
SMILESCCOC1CC(NC(=O)NC2CCN(C)CC2)C12CCCCC2
InChIInChI=1S/C18H33N3O2/c1-3-23-16-13-15(18(16)9-5-4-6-10-18)20-17(22)19-14-7-11-21(2)12-8-14/h14-16H,3-13H2,1-2H3,(H2,19,20,22)
InChIKeyQMMHDSZQZOTIBY-UHFFFAOYSA-N
XLogP2.51
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3-ethoxyspiro[3.5]nonan-1-yl)-3-(1-methylpiperidin-4-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyspiro[3.5]nonan-1-yl)-3-(1-methylpiperidin-4-yl)urea?
The IUPAC name of 1-(3-ethoxyspiro[3.5]nonan-1-yl)-3-(1-methylpiperidin-4-yl)urea (CID 71861170) is 1-(3-ethoxyspiro[3.5]nonan-1-yl)-3-(1-methylpiperidin-4-yl)urea.
What is the SMILES notation for 1-(3-ethoxyspiro[3.5]nonan-1-yl)-3-(1-methylpiperidin-4-yl)urea?
The canonical SMILES for 1-(3-ethoxyspiro[3.5]nonan-1-yl)-3-(1-methylpiperidin-4-yl)urea is CCOC1CC(NC(=O)NC2CCN(C)CC2)C12CCCCC2.
What is the InChIKey of 1-(3-ethoxyspiro[3.5]nonan-1-yl)-3-(1-methylpiperidin-4-yl)urea?
The InChIKey is QMMHDSZQZOTIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O2/c1-3-23-16-13-15(18(16)9-5-4-6-10-18)20-17(22)19-14-7-11-21(2)12-8-14/h14-16H,3-13H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-(3-ethoxyspiro[3.5]nonan-1-yl)-3-(1-methylpiperidin-4-yl)urea?
1-(3-ethoxyspiro[3.5]nonan-1-yl)-3-(1-methylpiperidin-4-yl)urea has a molecular weight of 323.48 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyspiro[3.5]nonan-1-yl)-3-(1-methylpiperidin-4-yl)urea is sourced from PubChem (CID 71861170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).