(4S,5R)-4-(methoxymethyl)-9-pyridin-2-yl-6-oxa-9-azaspiro[4.5]decane

C15H22N2O2 — CID 97452416

IUPAC(4S,5R)-4-(methoxymethyl)-9-pyridin-2-yl-6-oxa-9-azaspiro[4.5]decane
SMILESCOC[C@@H]1CCC[C@]12CN(c1ccccn1)CCO2
InChIInChI=1S/C15H22N2O2/c1-18-11-13-5-4-7-15(13)12-17(9-10-19-15)14-6-2-3-8-16-14/h2-3,6,8,13H,4-5,7,9-12H2,1H3/t13-,15-/m0/s1
InChIKeyHBSQKHAHOWMKOL-ZFWWWQNUSA-N
MW262.35 g/mol
LogP2.10
Rot. Bonds3

About (4S,5R)-4-(methoxymethyl)-9-pyridin-2-yl-6-oxa-9-azaspiro[4.5]decane

(4S,5R)-4-(methoxymethyl)-9-pyridin-2-yl-6-oxa-9-azaspiro[4.5]decane (PubChem CID 97452416) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (4S,5R)-4-(methoxymethyl)-9-pyridin-2-yl-6-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name(4S,5R)-4-(methoxymethyl)-9-pyridin-2-yl-6-oxa-9-azaspiro[4.5]decane
PubChem CID97452416
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(4S,5R)-4-(methoxymethyl)-9-pyridin-2-yl-6-oxa-9-azaspiro[4.5]decane
SMILESCOC[C@@H]1CCC[C@]12CN(c1ccccn1)CCO2
InChIInChI=1S/C15H22N2O2/c1-18-11-13-5-4-7-15(13)12-17(9-10-19-15)14-6-2-3-8-16-14/h2-3,6,8,13H,4-5,7,9-12H2,1H3/t13-,15-/m0/s1
InChIKeyHBSQKHAHOWMKOL-ZFWWWQNUSA-N
XLogP2.10
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4S,5S)-9-(5-ethylpyrimidin-2-yl)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane
CID 98776855
9-(2-methoxyethyl)-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 97450950
(4S,5S)-9-(5-fluoropyrimidin-2-yl)-4-(pyridin-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decane
CID 97451848
pyridazin-4-yl-[(4R,5S)-4-(pyridin-2-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97386036
pyridazin-4-yl-[(4S,5S)-4-(pyridin-2-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97451918
[(4S,5R)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]-pyridin-3-ylmethanone
CID 97452420
(8R)-2-(6-methoxypyrimidin-4-yl)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124795040
(4R,5R)-4-methoxy-7-pyridin-2-yl-7-azaspiro[4.5]decane
CID 135090113
(4S,5S)-9-methylsulfonyl-4-(pyridin-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decane
CID 97451863
(4S,5S)-4-(pyridin-2-yloxymethyl)-9-(1,3-thiazol-2-ylmethyl)-6-oxa-9-azaspiro[4.5]decane
CID 124807188
9-pyridin-2-yl-2,6-dioxa-9-azaspiro[4.5]decane
CID 133479328
[(4S,5R)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 98776933

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-(methoxymethyl)-9-pyridin-2-yl-6-oxa-9-azaspiro[4.5]decane?
The IUPAC name of (4S,5R)-4-(methoxymethyl)-9-pyridin-2-yl-6-oxa-9-azaspiro[4.5]decane (CID 97452416) is (4S,5R)-4-(methoxymethyl)-9-pyridin-2-yl-6-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for (4S,5R)-4-(methoxymethyl)-9-pyridin-2-yl-6-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for (4S,5R)-4-(methoxymethyl)-9-pyridin-2-yl-6-oxa-9-azaspiro[4.5]decane is COC[C@@H]1CCC[C@]12CN(c1ccccn1)CCO2.
What is the InChIKey of (4S,5R)-4-(methoxymethyl)-9-pyridin-2-yl-6-oxa-9-azaspiro[4.5]decane?
The InChIKey is HBSQKHAHOWMKOL-ZFWWWQNUSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-18-11-13-5-4-7-15(13)12-17(9-10-19-15)14-6-2-3-8-16-14/h2-3,6,8,13H,4-5,7,9-12H2,1H3/t13-,15-/m0/s1.
What are the key properties of (4S,5R)-4-(methoxymethyl)-9-pyridin-2-yl-6-oxa-9-azaspiro[4.5]decane?
(4S,5R)-4-(methoxymethyl)-9-pyridin-2-yl-6-oxa-9-azaspiro[4.5]decane has a molecular weight of 262.35 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-(methoxymethyl)-9-pyridin-2-yl-6-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 97452416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).