1-[[3-(2-piperidin-1-ylethoxy)phenyl]methyl]-1,8-diazaspiro[4.5]decane

C22H35N3O — CID 145401372

IUPAC1-[[3-(2-piperidin-1-ylethoxy)phenyl]methyl]-1,8-diazaspiro[4.5]decane
SMILESc1cc(CN2CCCC23CCNCC3)cc(OCCN2CCCCC2)c1
InChIInChI=1S/C22H35N3O/c1-2-13-24(14-3-1)16-17-26-21-7-4-6-20(18-21)19-25-15-5-8-22(25)9-11-23-12-10-22/h4,6-7,18,23H,1-3,5,8-17,19H2
InChIKeyJLCPQQIAPXIUOZ-UHFFFAOYSA-N
MW357.54 g/mol
LogP3.27
Rot. Bonds6

About 1-[[3-(2-piperidin-1-ylethoxy)phenyl]methyl]-1,8-diazaspiro[4.5]decane

1-[[3-(2-piperidin-1-ylethoxy)phenyl]methyl]-1,8-diazaspiro[4.5]decane (PubChem CID 145401372) has the molecular formula C22H35N3O and a molecular weight of 357.54 g/mol. Its IUPAC name is 1-[[3-(2-piperidin-1-ylethoxy)phenyl]methyl]-1,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name1-[[3-(2-piperidin-1-ylethoxy)phenyl]methyl]-1,8-diazaspiro[4.5]decane
PubChem CID145401372
Molecular FormulaC22H35N3O
Molecular Weight357.54 g/mol
Exact Mass357.28
IUPAC Name1-[[3-(2-piperidin-1-ylethoxy)phenyl]methyl]-1,8-diazaspiro[4.5]decane
SMILESc1cc(CN2CCCC23CCNCC3)cc(OCCN2CCCCC2)c1
InChIInChI=1S/C22H35N3O/c1-2-13-24(14-3-1)16-17-26-21-7-4-6-20(18-21)19-25-15-5-8-22(25)9-11-23-12-10-22/h4,6-7,18,23H,1-3,5,8-17,19H2
InChIKeyJLCPQQIAPXIUOZ-UHFFFAOYSA-N
XLogP3.27
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[3-(2-piperidin-1-ylethoxy)phenyl]methyl]-1,8-diazaspiro[4.5]decane 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-(2-piperidin-1-ylethoxy)phenyl]methyl]-1,8-diazaspiro[4.5]decane?
The IUPAC name of 1-[[3-(2-piperidin-1-ylethoxy)phenyl]methyl]-1,8-diazaspiro[4.5]decane (CID 145401372) is 1-[[3-(2-piperidin-1-ylethoxy)phenyl]methyl]-1,8-diazaspiro[4.5]decane.
What is the SMILES notation for 1-[[3-(2-piperidin-1-ylethoxy)phenyl]methyl]-1,8-diazaspiro[4.5]decane?
The canonical SMILES for 1-[[3-(2-piperidin-1-ylethoxy)phenyl]methyl]-1,8-diazaspiro[4.5]decane is c1cc(CN2CCCC23CCNCC3)cc(OCCN2CCCCC2)c1.
What is the InChIKey of 1-[[3-(2-piperidin-1-ylethoxy)phenyl]methyl]-1,8-diazaspiro[4.5]decane?
The InChIKey is JLCPQQIAPXIUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O/c1-2-13-24(14-3-1)16-17-26-21-7-4-6-20(18-21)19-25-15-5-8-22(25)9-11-23-12-10-22/h4,6-7,18,23H,1-3,5,8-17,19H2.
What are the key properties of 1-[[3-(2-piperidin-1-ylethoxy)phenyl]methyl]-1,8-diazaspiro[4.5]decane?
1-[[3-(2-piperidin-1-ylethoxy)phenyl]methyl]-1,8-diazaspiro[4.5]decane has a molecular weight of 357.54 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-piperidin-1-ylethoxy)phenyl]methyl]-1,8-diazaspiro[4.5]decane is sourced from PubChem (CID 145401372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).