10-[(3-methoxyphenyl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane

C21H32N2O3 — CID 155876656

IUPAC10-[(3-methoxyphenyl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESCOc1cccc(CN2CCOCC3(CCN(C4CCOCC4)C3)C2)c1
InChIInChI=1S/C21H32N2O3/c1-24-20-4-2-3-18(13-20)14-22-9-12-26-17-21(15-22)7-8-23(16-21)19-5-10-25-11-6-19/h2-4,13,19H,5-12,14-17H2,1H3
InChIKeyOQFQEPBSZIJUNA-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.40
Rot. Bonds4

About 10-[(3-methoxyphenyl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane

10-[(3-methoxyphenyl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane (PubChem CID 155876656) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is 10-[(3-methoxyphenyl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name10-[(3-methoxyphenyl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
PubChem CID155876656
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC Name10-[(3-methoxyphenyl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESCOc1cccc(CN2CCOCC3(CCN(C4CCOCC4)C3)C2)c1
InChIInChI=1S/C21H32N2O3/c1-24-20-4-2-3-18(13-20)14-22-9-12-26-17-21(15-22)7-8-23(16-21)19-5-10-25-11-6-19/h2-4,13,19H,5-12,14-17H2,1H3
InChIKeyOQFQEPBSZIJUNA-UHFFFAOYSA-N
XLogP2.40
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-9-[(3-methoxyphenyl)methyl]-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decane
CID 97482743
(5S)-10-[(3-methylphenyl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472090
(5S)-2-(oxan-4-yl)-10-(thiophen-3-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472060
7-[(3-methoxyphenyl)methyl]-2-oxa-7-azaspiro[3.5]nonane
CID 97374489
2-(oxan-4-yl)-10-(pyridin-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 131657279
[(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-morpholin-4-ylmethanone
CID 97482761
10-(oxan-4-yl)-2-(pyridin-3-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane;tris(2,2,2-trifluoroacetic acid)
CID 118747233
(5S)-7-[(3-methoxyphenyl)methyl]-1-oxa-7-azaspiro[4.4]nonane
CID 97374289
(5S)-10-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97384859
1-cycloheptyl-4-[(3-methoxyphenyl)methyl]piperazine
CID 877620
8-[(3-methoxyphenyl)methyl]-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 134077366
4-[(3-methoxyphenyl)methyl]-8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 155877754

Frequently Asked Questions

What is the IUPAC name of 10-[(3-methoxyphenyl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane?
The IUPAC name of 10-[(3-methoxyphenyl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane (CID 155876656) is 10-[(3-methoxyphenyl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane.
What is the SMILES notation for 10-[(3-methoxyphenyl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane?
The canonical SMILES for 10-[(3-methoxyphenyl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane is COc1cccc(CN2CCOCC3(CCN(C4CCOCC4)C3)C2)c1.
What is the InChIKey of 10-[(3-methoxyphenyl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane?
The InChIKey is OQFQEPBSZIJUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-24-20-4-2-3-18(13-20)14-22-9-12-26-17-21(15-22)7-8-23(16-21)19-5-10-25-11-6-19/h2-4,13,19H,5-12,14-17H2,1H3.
What are the key properties of 10-[(3-methoxyphenyl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane?
10-[(3-methoxyphenyl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane has a molecular weight of 360.50 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(3-methoxyphenyl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 155876656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).