3-azaspiro[5.5]undecane;1-ethylpiperazine;1-piperazin-1-ylethanone

C22H45N5O — CID 91309527

IUPAC3-azaspiro[5.5]undecane;1-ethylpiperazine;1-piperazin-1-ylethanone
SMILESC1CCC2(CC1)CCNCC2.CC(=O)N1CCNCC1.CCN1CCNCC1
InChIInChI=1S/C10H19N.C6H12N2O.C6H14N2/c1-2-4-10(5-3-1)6-8-11-9-7-10;1-6(9)8-4-2-7-3-5-8;1-2-8-5-3-7-4-6-8/h11H,1-9H2;7H,2-5H2,1H3;7H,2-6H2,1H3
InChIKeyWLGUWOHVROUMOU-UHFFFAOYSA-N
MW395.64 g/mol
LogP1.67
Rot. Bonds1

About 3-azaspiro[5.5]undecane;1-ethylpiperazine;1-piperazin-1-ylethanone

3-azaspiro[5.5]undecane;1-ethylpiperazine;1-piperazin-1-ylethanone (PubChem CID 91309527) has the molecular formula C22H45N5O and a molecular weight of 395.64 g/mol. Its IUPAC name is 3-azaspiro[5.5]undecane;1-ethylpiperazine;1-piperazin-1-ylethanone.

Molecular Properties

Compound Name3-azaspiro[5.5]undecane;1-ethylpiperazine;1-piperazin-1-ylethanone
PubChem CID91309527
Molecular FormulaC22H45N5O
Molecular Weight395.64 g/mol
Exact Mass395.36
IUPAC Name3-azaspiro[5.5]undecane;1-ethylpiperazine;1-piperazin-1-ylethanone
SMILESC1CCC2(CC1)CCNCC2.CC(=O)N1CCNCC1.CCN1CCNCC1
InChIInChI=1S/C10H19N.C6H12N2O.C6H14N2/c1-2-4-10(5-3-1)6-8-11-9-7-10;1-6(9)8-4-2-7-3-5-8;1-2-8-5-3-7-4-6-8/h11H,1-9H2;7H,2-5H2,1H3;7H,2-6H2,1H3
InChIKeyWLGUWOHVROUMOU-UHFFFAOYSA-N
XLogP1.67
TPSA59.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.64
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-azaspiro[5.5]undecane;1-ethylpiperazine;1-piperazin-1-ylethanone?
The IUPAC name of 3-azaspiro[5.5]undecane;1-ethylpiperazine;1-piperazin-1-ylethanone (CID 91309527) is 3-azaspiro[5.5]undecane;1-ethylpiperazine;1-piperazin-1-ylethanone.
What is the SMILES notation for 3-azaspiro[5.5]undecane;1-ethylpiperazine;1-piperazin-1-ylethanone?
The canonical SMILES for 3-azaspiro[5.5]undecane;1-ethylpiperazine;1-piperazin-1-ylethanone is C1CCC2(CC1)CCNCC2.CC(=O)N1CCNCC1.CCN1CCNCC1.
What is the InChIKey of 3-azaspiro[5.5]undecane;1-ethylpiperazine;1-piperazin-1-ylethanone?
The InChIKey is WLGUWOHVROUMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N.C6H12N2O.C6H14N2/c1-2-4-10(5-3-1)6-8-11-9-7-10;1-6(9)8-4-2-7-3-5-8;1-2-8-5-3-7-4-6-8/h11H,1-9H2;7H,2-5H2,1H3;7H,2-6H2,1H3.
What are the key properties of 3-azaspiro[5.5]undecane;1-ethylpiperazine;1-piperazin-1-ylethanone?
3-azaspiro[5.5]undecane;1-ethylpiperazine;1-piperazin-1-ylethanone has a molecular weight of 395.64 g/mol, XLogP of 1.67, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azaspiro[5.5]undecane;1-ethylpiperazine;1-piperazin-1-ylethanone is sourced from PubChem (CID 91309527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).