(3R)-8-(1,3-benzodioxol-5-ylmethyl)-3-methoxy-1-oxa-8-azaspiro[4.5]decane

C17H23NO4 — CID 97450720

IUPAC(3R)-8-(1,3-benzodioxol-5-ylmethyl)-3-methoxy-1-oxa-8-azaspiro[4.5]decane
SMILESCO[C@H]1COC2(CCN(Cc3ccc4c(c3)OCO4)CC2)C1
InChIInChI=1S/C17H23NO4/c1-19-14-9-17(22-11-14)4-6-18(7-5-17)10-13-2-3-15-16(8-13)21-12-20-15/h2-3,8,14H,4-7,9-12H2,1H3/t14-/m1/s1
InChIKeyUXAFQOJQTMFQOJ-CQSZACIVSA-N
MW305.37 g/mol
LogP2.19
Rot. Bonds3

About (3R)-8-(1,3-benzodioxol-5-ylmethyl)-3-methoxy-1-oxa-8-azaspiro[4.5]decane

(3R)-8-(1,3-benzodioxol-5-ylmethyl)-3-methoxy-1-oxa-8-azaspiro[4.5]decane (PubChem CID 97450720) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is (3R)-8-(1,3-benzodioxol-5-ylmethyl)-3-methoxy-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3R)-8-(1,3-benzodioxol-5-ylmethyl)-3-methoxy-1-oxa-8-azaspiro[4.5]decane
PubChem CID97450720
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name(3R)-8-(1,3-benzodioxol-5-ylmethyl)-3-methoxy-1-oxa-8-azaspiro[4.5]decane
SMILESCO[C@H]1COC2(CCN(Cc3ccc4c(c3)OCO4)CC2)C1
InChIInChI=1S/C17H23NO4/c1-19-14-9-17(22-11-14)4-6-18(7-5-17)10-13-2-3-15-16(8-13)21-12-20-15/h2-3,8,14H,4-7,9-12H2,1H3/t14-/m1/s1
InChIKeyUXAFQOJQTMFQOJ-CQSZACIVSA-N
XLogP2.19
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-8-(1,3-benzodioxol-5-ylmethyl)-3-methoxy-1-oxa-8-azaspiro[4.5]decane
CID 97450721
2-(1,3-benzodioxol-5-yl)-1-[(3S,5S)-3-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone
CID 97419807
(3S)-8-(1,3-benzodioxol-5-ylmethyl)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decane
CID 97417981
(3S)-3-methoxy-8-[(2-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 97418757
8-(1,3-benzodioxol-5-ylmethyl)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155833070
1-(1,3-benzodioxol-5-ylmethyl)azepane
CID 765340
(8R)-2-(1,3-benzodioxol-5-ylmethyl)-8-(2-methoxyethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124789023
(3S)-3-ethoxy-8-[(3-methoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 97418798
(3S)-3-ethoxy-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 97450673
7-(1,3-benzodioxol-5-ylmethyl)-2-oxa-7-azaspiro[3.4]octane
CID 46889877
1-(1,3-benzodioxol-5-ylmethyl)-4-hydroxypiperazine
CID 130380752
N-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]methyl]ethanamine
CID 80550714

Frequently Asked Questions

What is the IUPAC name of (3R)-8-(1,3-benzodioxol-5-ylmethyl)-3-methoxy-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (3R)-8-(1,3-benzodioxol-5-ylmethyl)-3-methoxy-1-oxa-8-azaspiro[4.5]decane (CID 97450720) is (3R)-8-(1,3-benzodioxol-5-ylmethyl)-3-methoxy-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (3R)-8-(1,3-benzodioxol-5-ylmethyl)-3-methoxy-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (3R)-8-(1,3-benzodioxol-5-ylmethyl)-3-methoxy-1-oxa-8-azaspiro[4.5]decane is CO[C@H]1COC2(CCN(Cc3ccc4c(c3)OCO4)CC2)C1.
What is the InChIKey of (3R)-8-(1,3-benzodioxol-5-ylmethyl)-3-methoxy-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is UXAFQOJQTMFQOJ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23NO4/c1-19-14-9-17(22-11-14)4-6-18(7-5-17)10-13-2-3-15-16(8-13)21-12-20-15/h2-3,8,14H,4-7,9-12H2,1H3/t14-/m1/s1.
What are the key properties of (3R)-8-(1,3-benzodioxol-5-ylmethyl)-3-methoxy-1-oxa-8-azaspiro[4.5]decane?
(3R)-8-(1,3-benzodioxol-5-ylmethyl)-3-methoxy-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 305.37 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-(1,3-benzodioxol-5-ylmethyl)-3-methoxy-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 97450720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).