9-pyridin-3-yl-9-(2-pyrrolidin-1-ylethoxy)-3-azaspiro[5.5]undecane

C21H33N3O — CID 59367776

IUPAC9-pyridin-3-yl-9-(2-pyrrolidin-1-ylethoxy)-3-azaspiro[5.5]undecane
SMILESc1cncc(C2(OCCN3CCCC3)CCC3(CCNCC3)CC2)c1
InChIInChI=1S/C21H33N3O/c1-2-15-24(14-1)16-17-25-21(19-4-3-11-23-18-19)7-5-20(6-8-21)9-12-22-13-10-20/h3-4,11,18,22H,1-2,5-10,12-17H2
InChIKeyCQXHBVHKMQWBRC-UHFFFAOYSA-N
MW343.52 g/mol
LogP3.33
Rot. Bonds5

About 9-pyridin-3-yl-9-(2-pyrrolidin-1-ylethoxy)-3-azaspiro[5.5]undecane

9-pyridin-3-yl-9-(2-pyrrolidin-1-ylethoxy)-3-azaspiro[5.5]undecane (PubChem CID 59367776) has the molecular formula C21H33N3O and a molecular weight of 343.52 g/mol. Its IUPAC name is 9-pyridin-3-yl-9-(2-pyrrolidin-1-ylethoxy)-3-azaspiro[5.5]undecane.

Molecular Properties

Compound Name9-pyridin-3-yl-9-(2-pyrrolidin-1-ylethoxy)-3-azaspiro[5.5]undecane
PubChem CID59367776
Molecular FormulaC21H33N3O
Molecular Weight343.52 g/mol
Exact Mass343.26
IUPAC Name9-pyridin-3-yl-9-(2-pyrrolidin-1-ylethoxy)-3-azaspiro[5.5]undecane
SMILESc1cncc(C2(OCCN3CCCC3)CCC3(CCNCC3)CC2)c1
InChIInChI=1S/C21H33N3O/c1-2-15-24(14-1)16-17-25-21(19-4-3-11-23-18-19)7-5-20(6-8-21)9-12-22-13-10-20/h3-4,11,18,22H,1-2,5-10,12-17H2
InChIKeyCQXHBVHKMQWBRC-UHFFFAOYSA-N
XLogP3.33
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.52
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-pyridin-3-yl-9-(2-pyrrolidin-1-ylethoxy)-3-azaspiro[5.5]undecane?
The IUPAC name of 9-pyridin-3-yl-9-(2-pyrrolidin-1-ylethoxy)-3-azaspiro[5.5]undecane (CID 59367776) is 9-pyridin-3-yl-9-(2-pyrrolidin-1-ylethoxy)-3-azaspiro[5.5]undecane.
What is the SMILES notation for 9-pyridin-3-yl-9-(2-pyrrolidin-1-ylethoxy)-3-azaspiro[5.5]undecane?
The canonical SMILES for 9-pyridin-3-yl-9-(2-pyrrolidin-1-ylethoxy)-3-azaspiro[5.5]undecane is c1cncc(C2(OCCN3CCCC3)CCC3(CCNCC3)CC2)c1.
What is the InChIKey of 9-pyridin-3-yl-9-(2-pyrrolidin-1-ylethoxy)-3-azaspiro[5.5]undecane?
The InChIKey is CQXHBVHKMQWBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O/c1-2-15-24(14-1)16-17-25-21(19-4-3-11-23-18-19)7-5-20(6-8-21)9-12-22-13-10-20/h3-4,11,18,22H,1-2,5-10,12-17H2.
What are the key properties of 9-pyridin-3-yl-9-(2-pyrrolidin-1-ylethoxy)-3-azaspiro[5.5]undecane?
9-pyridin-3-yl-9-(2-pyrrolidin-1-ylethoxy)-3-azaspiro[5.5]undecane has a molecular weight of 343.52 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-pyridin-3-yl-9-(2-pyrrolidin-1-ylethoxy)-3-azaspiro[5.5]undecane is sourced from PubChem (CID 59367776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).