cyclopent-3-en-1-yl-[(8R)-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone

C21H28N2O3 — CID 124787528

IUPACcyclopent-3-en-1-yl-[(8R)-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
SMILESO=C(C1CC=CC1)N1CC2(C[C@H](CCOCc3ccccn3)CCO2)C1
InChIInChI=1S/C21H28N2O3/c24-20(18-5-1-2-6-18)23-15-21(16-23)13-17(9-12-26-21)8-11-25-14-19-7-3-4-10-22-19/h1-4,7,10,17-18H,5-6,8-9,11-16H2/t17-/m1/s1
InChIKeyCKFQQFQMOFMNNP-QGZVFWFLSA-N
MW356.47 g/mol
LogP2.96
Rot. Bonds6

About cyclopent-3-en-1-yl-[(8R)-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone

cyclopent-3-en-1-yl-[(8R)-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone (PubChem CID 124787528) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is cyclopent-3-en-1-yl-[(8R)-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone.

Molecular Properties

Compound Namecyclopent-3-en-1-yl-[(8R)-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
PubChem CID124787528
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Namecyclopent-3-en-1-yl-[(8R)-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
SMILESO=C(C1CC=CC1)N1CC2(C[C@H](CCOCc3ccccn3)CCO2)C1
InChIInChI=1S/C21H28N2O3/c24-20(18-5-1-2-6-18)23-15-21(16-23)13-17(9-12-26-21)8-11-25-14-19-7-3-4-10-22-19/h1-4,7,10,17-18H,5-6,8-9,11-16H2/t17-/m1/s1
InChIKeyCKFQQFQMOFMNNP-QGZVFWFLSA-N
XLogP2.96
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

8-[2-(pyridin-2-ylmethoxy)ethyl]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid)
CID 155840559
cyclobutyl-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 131692822
cyclopent-3-en-1-yl-[(8S)-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124787557
[8-[2-(pyridin-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-2-ylmethanone
CID 131639064
cyclopent-3-en-1-yl-[(8S)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124913329
(8R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane
CID 124835395
2-methoxy-1-[(8R)-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 124791670
cyclobutyl-[8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 131692810
3-methoxy-1-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]propan-1-one
CID 131671965
2-cyclopentyloxy-1-[8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 131653717
cyclopent-3-en-1-yl-[8-(pyridin-3-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 133136522
cyclopent-3-en-1-yl-[4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97450797

Frequently Asked Questions

What is the IUPAC name of cyclopent-3-en-1-yl-[(8R)-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?
The IUPAC name of cyclopent-3-en-1-yl-[(8R)-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone (CID 124787528) is cyclopent-3-en-1-yl-[(8R)-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone.
What is the SMILES notation for cyclopent-3-en-1-yl-[(8R)-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?
The canonical SMILES for cyclopent-3-en-1-yl-[(8R)-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone is O=C(C1CC=CC1)N1CC2(C[C@H](CCOCc3ccccn3)CCO2)C1.
What is the InChIKey of cyclopent-3-en-1-yl-[(8R)-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?
The InChIKey is CKFQQFQMOFMNNP-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H28N2O3/c24-20(18-5-1-2-6-18)23-15-21(16-23)13-17(9-12-26-21)8-11-25-14-19-7-3-4-10-22-19/h1-4,7,10,17-18H,5-6,8-9,11-16H2/t17-/m1/s1.
What are the key properties of cyclopent-3-en-1-yl-[(8R)-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?
cyclopent-3-en-1-yl-[(8R)-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone has a molecular weight of 356.47 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-3-en-1-yl-[(8R)-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone is sourced from PubChem (CID 124787528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).