(3S)-8-(pyridin-3-ylmethyl)-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decane

C19H23N3O2 — CID 97419188

IUPAC(3S)-8-(pyridin-3-ylmethyl)-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decane
SMILESc1ccc(O[C@@H]2COC3(CCN(Cc4cccnc4)CC3)C2)nc1
InChIInChI=1S/C19H23N3O2/c1-2-9-21-18(5-1)24-17-12-19(23-15-17)6-10-22(11-7-19)14-16-4-3-8-20-13-16/h1-5,8-9,13,17H,6-7,10-12,14-15H2/t17-/m0/s1
InChIKeyKBGXTVLQKZONKR-KRWDZBQOSA-N
MW325.41 g/mol
LogP2.68
Rot. Bonds4

About (3S)-8-(pyridin-3-ylmethyl)-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decane

(3S)-8-(pyridin-3-ylmethyl)-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decane (PubChem CID 97419188) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is (3S)-8-(pyridin-3-ylmethyl)-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3S)-8-(pyridin-3-ylmethyl)-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decane
PubChem CID97419188
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name(3S)-8-(pyridin-3-ylmethyl)-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decane
SMILESc1ccc(O[C@@H]2COC3(CCN(Cc4cccnc4)CC3)C2)nc1
InChIInChI=1S/C19H23N3O2/c1-2-9-21-18(5-1)24-17-12-19(23-15-17)6-10-22(11-7-19)14-16-4-3-8-20-13-16/h1-5,8-9,13,17H,6-7,10-12,14-15H2/t17-/m0/s1
InChIKeyKBGXTVLQKZONKR-KRWDZBQOSA-N
XLogP2.68
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-(pyridin-3-ylmethyl)-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 171696954
8-[(4-methoxyphenyl)methyl]-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decane
CID 131652795
(3S,5R)-7-[(1-methylpyrazol-4-yl)methyl]-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane
CID 124821973
(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-7-(pyridin-3-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane
CID 97420082
(3R)-8-(pyridin-3-ylmethyl)-3-(2-pyrrolidin-1-ylethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 97475098
(3S,5S)-7-(pyridin-2-ylmethyl)-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane
CID 97419877
(3R,5S)-7-(pyridin-2-ylmethyl)-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane
CID 97420051
(3S)-3-(pyridin-3-ylmethoxy)-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 97394954
9-(pyridin-3-ylmethyl)-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decane
CID 131660794
3-(pyridin-3-ylmethoxy)-7-(pyridin-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane
CID 134071058
(3R)-8-[(3-fluorophenyl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 97418992
8-(2-phenylethyl)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 131643166

Frequently Asked Questions

What is the IUPAC name of (3S)-8-(pyridin-3-ylmethyl)-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (3S)-8-(pyridin-3-ylmethyl)-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decane (CID 97419188) is (3S)-8-(pyridin-3-ylmethyl)-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (3S)-8-(pyridin-3-ylmethyl)-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (3S)-8-(pyridin-3-ylmethyl)-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decane is c1ccc(O[C@@H]2COC3(CCN(Cc4cccnc4)CC3)C2)nc1.
What is the InChIKey of (3S)-8-(pyridin-3-ylmethyl)-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is KBGXTVLQKZONKR-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-2-9-21-18(5-1)24-17-12-19(23-15-17)6-10-22(11-7-19)14-16-4-3-8-20-13-16/h1-5,8-9,13,17H,6-7,10-12,14-15H2/t17-/m0/s1.
What are the key properties of (3S)-8-(pyridin-3-ylmethyl)-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decane?
(3S)-8-(pyridin-3-ylmethyl)-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 325.41 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-8-(pyridin-3-ylmethyl)-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 97419188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).