(3R)-3,8-dipyridin-3-yl-1-oxa-8-azaspiro[4.5]decane

C18H21N3O — CID 97394818

IUPAC(3R)-3,8-dipyridin-3-yl-1-oxa-8-azaspiro[4.5]decane
SMILESc1cncc([C@@H]2COC3(CCN(c4cccnc4)CC3)C2)c1
InChIInChI=1S/C18H21N3O/c1-3-15(12-19-7-1)16-11-18(22-14-16)5-9-21(10-6-18)17-4-2-8-20-13-17/h1-4,7-8,12-13,16H,5-6,9-11,14H2/t16-/m0/s1
InChIKeyYVWFJEHLWUJTFS-INIZCTEOSA-N
MW295.39 g/mol
LogP3.02
Rot. Bonds2

About (3R)-3,8-dipyridin-3-yl-1-oxa-8-azaspiro[4.5]decane

(3R)-3,8-dipyridin-3-yl-1-oxa-8-azaspiro[4.5]decane (PubChem CID 97394818) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is (3R)-3,8-dipyridin-3-yl-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3R)-3,8-dipyridin-3-yl-1-oxa-8-azaspiro[4.5]decane
PubChem CID97394818
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name(3R)-3,8-dipyridin-3-yl-1-oxa-8-azaspiro[4.5]decane
SMILESc1cncc([C@@H]2COC3(CCN(c4cccnc4)CC3)C2)c1
InChIInChI=1S/C18H21N3O/c1-3-15(12-19-7-1)16-11-18(22-14-16)5-9-21(10-6-18)17-4-2-8-20-13-17/h1-4,7-8,12-13,16H,5-6,9-11,14H2/t16-/m0/s1
InChIKeyYVWFJEHLWUJTFS-INIZCTEOSA-N
XLogP3.02
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3,8-dipyridin-3-yl-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (3R)-3,8-dipyridin-3-yl-1-oxa-8-azaspiro[4.5]decane (CID 97394818) is (3R)-3,8-dipyridin-3-yl-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (3R)-3,8-dipyridin-3-yl-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (3R)-3,8-dipyridin-3-yl-1-oxa-8-azaspiro[4.5]decane is c1cncc([C@@H]2COC3(CCN(c4cccnc4)CC3)C2)c1.
What is the InChIKey of (3R)-3,8-dipyridin-3-yl-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is YVWFJEHLWUJTFS-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21N3O/c1-3-15(12-19-7-1)16-11-18(22-14-16)5-9-21(10-6-18)17-4-2-8-20-13-17/h1-4,7-8,12-13,16H,5-6,9-11,14H2/t16-/m0/s1.
What are the key properties of (3R)-3,8-dipyridin-3-yl-1-oxa-8-azaspiro[4.5]decane?
(3R)-3,8-dipyridin-3-yl-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 295.39 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3,8-dipyridin-3-yl-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 97394818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).