(3R)-3-(4-ethylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane

C14H27N3O — CID 28590809

IUPAC(3R)-3-(4-ethylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane
SMILESCCN1CCN([C@H]2COC3(CCNCC3)C2)CC1
InChIInChI=1S/C14H27N3O/c1-2-16-7-9-17(10-8-16)13-11-14(18-12-13)3-5-15-6-4-14/h13,15H,2-12H2,1H3/t13-/m1/s1
InChIKeyXEMRDGWIXULDQK-CYBMUJFWSA-N
MW253.39 g/mol
LogP0.54
Rot. Bonds2

About (3R)-3-(4-ethylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane

(3R)-3-(4-ethylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane (PubChem CID 28590809) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is (3R)-3-(4-ethylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3R)-3-(4-ethylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane
PubChem CID28590809
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name(3R)-3-(4-ethylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane
SMILESCCN1CCN([C@H]2COC3(CCNCC3)C2)CC1
InChIInChI=1S/C14H27N3O/c1-2-16-7-9-17(10-8-16)13-11-14(18-12-13)3-5-15-6-4-14/h13,15H,2-12H2,1H3/t13-/m1/s1
InChIKeyXEMRDGWIXULDQK-CYBMUJFWSA-N
XLogP0.54
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-3-(4-ethylpiperazin-1-yl)-1-oxa-8-azaspiro[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 (3R)-3-(4-ethylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (3R)-3-(4-ethylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane (CID 28590809) is (3R)-3-(4-ethylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (3R)-3-(4-ethylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (3R)-3-(4-ethylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane is CCN1CCN([C@H]2COC3(CCNCC3)C2)CC1.
What is the InChIKey of (3R)-3-(4-ethylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is XEMRDGWIXULDQK-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H27N3O/c1-2-16-7-9-17(10-8-16)13-11-14(18-12-13)3-5-15-6-4-14/h13,15H,2-12H2,1H3/t13-/m1/s1.
What are the key properties of (3R)-3-(4-ethylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane?
(3R)-3-(4-ethylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 253.39 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-ethylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 28590809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).