2-(piperidin-4-ylmethyl)-7-(3-prop-1-en-2-ylcyclobutyl)-2,7-diazaspiro[3.5]nonane

C20H35N3 — CID 170953280

IUPAC2-(piperidin-4-ylmethyl)-7-(3-prop-1-en-2-ylcyclobutyl)-2,7-diazaspiro[3.5]nonane
SMILESC=C(C)C1CC(N2CCC3(CC2)CN(CC2CCNCC2)C3)C1
InChIInChI=1S/C20H35N3/c1-16(2)18-11-19(12-18)23-9-5-20(6-10-23)14-22(15-20)13-17-3-7-21-8-4-17/h17-19,21H,1,3-15H2,2H3
InChIKeyXKLMDVAEJLXLFJ-UHFFFAOYSA-N
MW317.52 g/mol
LogP2.74
Rot. Bonds4

About 2-(piperidin-4-ylmethyl)-7-(3-prop-1-en-2-ylcyclobutyl)-2,7-diazaspiro[3.5]nonane

2-(piperidin-4-ylmethyl)-7-(3-prop-1-en-2-ylcyclobutyl)-2,7-diazaspiro[3.5]nonane (PubChem CID 170953280) has the molecular formula C20H35N3 and a molecular weight of 317.52 g/mol. Its IUPAC name is 2-(piperidin-4-ylmethyl)-7-(3-prop-1-en-2-ylcyclobutyl)-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name2-(piperidin-4-ylmethyl)-7-(3-prop-1-en-2-ylcyclobutyl)-2,7-diazaspiro[3.5]nonane
PubChem CID170953280
Molecular FormulaC20H35N3
Molecular Weight317.52 g/mol
Exact Mass317.28
IUPAC Name2-(piperidin-4-ylmethyl)-7-(3-prop-1-en-2-ylcyclobutyl)-2,7-diazaspiro[3.5]nonane
SMILESC=C(C)C1CC(N2CCC3(CC2)CN(CC2CCNCC2)C3)C1
InChIInChI=1S/C20H35N3/c1-16(2)18-11-19(12-18)23-9-5-20(6-10-23)14-22(15-20)13-17-3-7-21-8-4-17/h17-19,21H,1,3-15H2,2H3
InChIKeyXKLMDVAEJLXLFJ-UHFFFAOYSA-N
XLogP2.74
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.52
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(piperidin-4-ylmethyl)-7-(3-prop-1-en-2-ylcyclobutyl)-2,7-diazaspiro[3.5]nonane with MolForge

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

Launch Full Analysis

Related Compounds

CID 176925738
CID 176925738
CID 176925739
CID 176925739

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-4-ylmethyl)-7-(3-prop-1-en-2-ylcyclobutyl)-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 2-(piperidin-4-ylmethyl)-7-(3-prop-1-en-2-ylcyclobutyl)-2,7-diazaspiro[3.5]nonane (CID 170953280) is 2-(piperidin-4-ylmethyl)-7-(3-prop-1-en-2-ylcyclobutyl)-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 2-(piperidin-4-ylmethyl)-7-(3-prop-1-en-2-ylcyclobutyl)-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 2-(piperidin-4-ylmethyl)-7-(3-prop-1-en-2-ylcyclobutyl)-2,7-diazaspiro[3.5]nonane is C=C(C)C1CC(N2CCC3(CC2)CN(CC2CCNCC2)C3)C1.
What is the InChIKey of 2-(piperidin-4-ylmethyl)-7-(3-prop-1-en-2-ylcyclobutyl)-2,7-diazaspiro[3.5]nonane?
The InChIKey is XKLMDVAEJLXLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3/c1-16(2)18-11-19(12-18)23-9-5-20(6-10-23)14-22(15-20)13-17-3-7-21-8-4-17/h17-19,21H,1,3-15H2,2H3.
What are the key properties of 2-(piperidin-4-ylmethyl)-7-(3-prop-1-en-2-ylcyclobutyl)-2,7-diazaspiro[3.5]nonane?
2-(piperidin-4-ylmethyl)-7-(3-prop-1-en-2-ylcyclobutyl)-2,7-diazaspiro[3.5]nonane has a molecular weight of 317.52 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-4-ylmethyl)-7-(3-prop-1-en-2-ylcyclobutyl)-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 170953280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).