2-cyclopentyloxy-1-[(8R)-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone

C20H28N2O4 — CID 124785982

IUPAC2-cyclopentyloxy-1-[(8R)-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone
SMILESO=C(COC1CCCC1)N1CC2(C1)OCC[C@@H]2CCOc1cccnc1
InChIInChI=1S/C20H28N2O4/c23-19(13-25-17-4-1-2-5-17)22-14-20(15-22)16(8-11-26-20)7-10-24-18-6-3-9-21-12-18/h3,6,9,12,16-17H,1-2,4-5,7-8,10-11,13-15H2/t16-/m0/s1
InChIKeyOCWUHEPCUXQOJL-INIZCTEOSA-N
MW360.45 g/mol
LogP2.43
Rot. Bonds7

About 2-cyclopentyloxy-1-[(8R)-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone

2-cyclopentyloxy-1-[(8R)-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone (PubChem CID 124785982) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 2-cyclopentyloxy-1-[(8R)-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyloxy-1-[(8R)-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone
PubChem CID124785982
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name2-cyclopentyloxy-1-[(8R)-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone
SMILESO=C(COC1CCCC1)N1CC2(C1)OCC[C@@H]2CCOc1cccnc1
InChIInChI=1S/C20H28N2O4/c23-19(13-25-17-4-1-2-5-17)22-14-20(15-22)16(8-11-26-20)7-10-24-18-6-3-9-21-12-18/h3,6,9,12,16-17H,1-2,4-5,7-8,10-11,13-15H2/t16-/m0/s1
InChIKeyOCWUHEPCUXQOJL-INIZCTEOSA-N
XLogP2.43
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

2-(3-fluorophenyl)-1-[8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone
CID 131642303
(2-methylpyrazol-3-yl)-[8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 133143459
(3-methylfuran-2-yl)-[8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 131669328
1H-indol-2-yl-[8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 131669327
2-[4-(2-pyridin-3-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-1-pyrrolidin-1-ylethanone
CID 133141658
(8R)-2-cyclopropylsulfonyl-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124779502
2-(4-methylphenoxy)-1-[(8S)-8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone
CID 124816385
[8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyrimidin-2-ylmethanone
CID 133143433
(5-methyl-3-pyridinyl)-[8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone;bis(2,2,2-trifluoroacetic acid)
CID 155862477
2-(pyridin-2-ylmethyl)-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane
CID 131649467
(8R)-2-(pyridin-2-ylmethyl)-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124814207
[4-(2-pyridin-3-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrimidin-4-ylmethanone
CID 133140773

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-1-[(8R)-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone?
The IUPAC name of 2-cyclopentyloxy-1-[(8R)-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone (CID 124785982) is 2-cyclopentyloxy-1-[(8R)-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone.
What is the SMILES notation for 2-cyclopentyloxy-1-[(8R)-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone?
The canonical SMILES for 2-cyclopentyloxy-1-[(8R)-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone is O=C(COC1CCCC1)N1CC2(C1)OCC[C@@H]2CCOc1cccnc1.
What is the InChIKey of 2-cyclopentyloxy-1-[(8R)-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone?
The InChIKey is OCWUHEPCUXQOJL-INIZCTEOSA-N. The full InChI is InChI=1S/C20H28N2O4/c23-19(13-25-17-4-1-2-5-17)22-14-20(15-22)16(8-11-26-20)7-10-24-18-6-3-9-21-12-18/h3,6,9,12,16-17H,1-2,4-5,7-8,10-11,13-15H2/t16-/m0/s1.
What are the key properties of 2-cyclopentyloxy-1-[(8R)-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone?
2-cyclopentyloxy-1-[(8R)-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone has a molecular weight of 360.45 g/mol, XLogP of 2.43, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-1-[(8R)-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone is sourced from PubChem (CID 124785982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).