(3S,5R)-9-cyclobutyl-3-(2-pyrrolidin-1-ylethoxy)-1-oxa-9-azaspiro[4.5]decane

C18H32N2O2 — CID 124911945

IUPAC(3S,5R)-9-cyclobutyl-3-(2-pyrrolidin-1-ylethoxy)-1-oxa-9-azaspiro[4.5]decane
SMILESC1CC(N2CCC[C@@]3(C[C@H](OCCN4CCCC4)CO3)C2)C1
InChIInChI=1S/C18H32N2O2/c1-2-9-19(8-1)11-12-21-17-13-18(22-14-17)7-4-10-20(15-18)16-5-3-6-16/h16-17H,1-15H2/t17-,18+/m0/s1
InChIKeyWJPOZQOSSXQBOD-ZWKOTPCHSA-N
MW308.47 g/mol
LogP2.27
Rot. Bonds5

About (3S,5R)-9-cyclobutyl-3-(2-pyrrolidin-1-ylethoxy)-1-oxa-9-azaspiro[4.5]decane

(3S,5R)-9-cyclobutyl-3-(2-pyrrolidin-1-ylethoxy)-1-oxa-9-azaspiro[4.5]decane (PubChem CID 124911945) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is (3S,5R)-9-cyclobutyl-3-(2-pyrrolidin-1-ylethoxy)-1-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3S,5R)-9-cyclobutyl-3-(2-pyrrolidin-1-ylethoxy)-1-oxa-9-azaspiro[4.5]decane
PubChem CID124911945
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Name(3S,5R)-9-cyclobutyl-3-(2-pyrrolidin-1-ylethoxy)-1-oxa-9-azaspiro[4.5]decane
SMILESC1CC(N2CCC[C@@]3(C[C@H](OCCN4CCCC4)CO3)C2)C1
InChIInChI=1S/C18H32N2O2/c1-2-9-19(8-1)11-12-21-17-13-18(22-14-17)7-4-10-20(15-18)16-5-3-6-16/h16-17H,1-15H2/t17-,18+/m0/s1
InChIKeyWJPOZQOSSXQBOD-ZWKOTPCHSA-N
XLogP2.27
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,5S)-9-ethylsulfonyl-3-(2-pyrrolidin-1-ylethoxy)-1-oxa-9-azaspiro[4.5]decane
CID 97482295
1-[(3R)-3-(2-pyrrolidin-1-ylethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 97477702
(3R,5S)-7-cyclopropylsulfonyl-3-(2-pyrrolidin-1-ylethoxy)-1-oxa-7-azaspiro[4.4]nonane;2,2,2-trifluoroacetic acid
CID 155837381
(3S,5S)-9-(cyclopropylmethyl)-3-prop-2-enoxy-1-oxa-9-azaspiro[4.5]decane
CID 97371589
[(3S,5S)-3-(2-pyrrolidin-1-ylethoxy)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,3-thiazol-4-yl)methanone
CID 97476020
(3R)-8-(pyridin-3-ylmethyl)-3-(2-pyrrolidin-1-ylethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 97475098
1-[2-(1,4-dioxaspiro[4.5]decan-8-yloxy)ethyl]pyrrolidine
CID 113414133
1-[2-(1,4-dioxaspiro[4.5]decan-8-yloxy)ethyl]piperidine
CID 113414152
(3R,5R)-9-(oxan-4-ylmethyl)-3-prop-2-enoxy-1-oxa-9-azaspiro[4.5]decane
CID 97371590
[(3R,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone
CID 97419485
9-(2-methoxyethyl)-3-phenoxy-1-oxa-9-azaspiro[4.5]decane
CID 134071298
(3R,5S)-3-(cyclopropylmethoxy)-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-oxa-9-azaspiro[4.5]decane
CID 97485654

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-9-cyclobutyl-3-(2-pyrrolidin-1-ylethoxy)-1-oxa-9-azaspiro[4.5]decane?
The IUPAC name of (3S,5R)-9-cyclobutyl-3-(2-pyrrolidin-1-ylethoxy)-1-oxa-9-azaspiro[4.5]decane (CID 124911945) is (3S,5R)-9-cyclobutyl-3-(2-pyrrolidin-1-ylethoxy)-1-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for (3S,5R)-9-cyclobutyl-3-(2-pyrrolidin-1-ylethoxy)-1-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for (3S,5R)-9-cyclobutyl-3-(2-pyrrolidin-1-ylethoxy)-1-oxa-9-azaspiro[4.5]decane is C1CC(N2CCC[C@@]3(C[C@H](OCCN4CCCC4)CO3)C2)C1.
What is the InChIKey of (3S,5R)-9-cyclobutyl-3-(2-pyrrolidin-1-ylethoxy)-1-oxa-9-azaspiro[4.5]decane?
The InChIKey is WJPOZQOSSXQBOD-ZWKOTPCHSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-2-9-19(8-1)11-12-21-17-13-18(22-14-17)7-4-10-20(15-18)16-5-3-6-16/h16-17H,1-15H2/t17-,18+/m0/s1.
What are the key properties of (3S,5R)-9-cyclobutyl-3-(2-pyrrolidin-1-ylethoxy)-1-oxa-9-azaspiro[4.5]decane?
(3S,5R)-9-cyclobutyl-3-(2-pyrrolidin-1-ylethoxy)-1-oxa-9-azaspiro[4.5]decane has a molecular weight of 308.47 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-9-cyclobutyl-3-(2-pyrrolidin-1-ylethoxy)-1-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 124911945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).