8-[(4-methoxyphenyl)methyl]-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane

C21H26N2O2 — CID 118745893

IUPAC8-[(4-methoxyphenyl)methyl]-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane
SMILESCOc1ccc(CN2CCC3(CC2)CC(c2cccnc2)CO3)cc1
InChIInChI=1S/C21H26N2O2/c1-24-20-6-4-17(5-7-20)15-23-11-8-21(9-12-23)13-19(16-25-21)18-3-2-10-22-14-18/h2-7,10,14,19H,8-9,11-13,15-16H2,1H3
InChIKeyNJTYZCJSKBPFRT-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.63
Rot. Bonds4

About 8-[(4-methoxyphenyl)methyl]-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane

8-[(4-methoxyphenyl)methyl]-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane (PubChem CID 118745893) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 8-[(4-methoxyphenyl)methyl]-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(4-methoxyphenyl)methyl]-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane
PubChem CID118745893
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name8-[(4-methoxyphenyl)methyl]-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane
SMILESCOc1ccc(CN2CCC3(CC2)CC(c2cccnc2)CO3)cc1
InChIInChI=1S/C21H26N2O2/c1-24-20-6-4-17(5-7-20)15-23-11-8-21(9-12-23)13-19(16-25-21)18-3-2-10-22-14-18/h2-7,10,14,19H,8-9,11-13,15-16H2,1H3
InChIKeyNJTYZCJSKBPFRT-UHFFFAOYSA-N
XLogP3.63
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-pyridin-3-yl-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 97371135
8-(cyclopropylmethyl)-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane
CID 118746332
8-[(4-methoxyphenyl)methyl]-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 131639696
(3R)-3,8-dipyridin-3-yl-1-oxa-8-azaspiro[4.5]decane
CID 97394818
8-[(4-methoxyphenyl)methyl]-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decane
CID 131652795
8-[(4-methoxyphenyl)methyl]-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decane
CID 97372599
9-[(4-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane;tris(2,2,2-trifluoroacetic acid)
CID 155849939
(3S,4R)-9-[(6-methoxynaphthalen-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecane-3,4-diol
CID 165417755
3-[(2S)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]pyridine
CID 872941
8-(2-methoxyethyl)-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane
CID 134071228
1-[9-[(4-methoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-pyridin-3-ylethanone
CID 97370728
1-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768234

Frequently Asked Questions

What is the IUPAC name of 8-[(4-methoxyphenyl)methyl]-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[(4-methoxyphenyl)methyl]-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane (CID 118745893) is 8-[(4-methoxyphenyl)methyl]-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[(4-methoxyphenyl)methyl]-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[(4-methoxyphenyl)methyl]-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane is COc1ccc(CN2CCC3(CC2)CC(c2cccnc2)CO3)cc1.
What is the InChIKey of 8-[(4-methoxyphenyl)methyl]-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is NJTYZCJSKBPFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-24-20-6-4-17(5-7-20)15-23-11-8-21(9-12-23)13-19(16-25-21)18-3-2-10-22-14-18/h2-7,10,14,19H,8-9,11-13,15-16H2,1H3.
What are the key properties of 8-[(4-methoxyphenyl)methyl]-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane?
8-[(4-methoxyphenyl)methyl]-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 338.45 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-methoxyphenyl)methyl]-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 118745893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).