cyclopent-3-en-1-yl-[(8S)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone

C20H27N3O3 — CID 124913329

IUPACcyclopent-3-en-1-yl-[(8S)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
SMILESCc1cncc(OCC[C@@H]2CCOC3(C2)CN(C(=O)C2CC=CC2)C3)n1
InChIInChI=1S/C20H27N3O3/c1-15-11-21-12-18(22-15)25-8-6-16-7-9-26-20(10-16)13-23(14-20)19(24)17-4-2-3-5-17/h2-3,11-12,16-17H,4-10,13-14H2,1H3/t16-/m1/s1
InChIKeyUCOJQKXJMLLYMU-MRXNPFEDSA-N
MW357.45 g/mol
LogP2.53
Rot. Bonds5

About cyclopent-3-en-1-yl-[(8S)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone

cyclopent-3-en-1-yl-[(8S)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone (PubChem CID 124913329) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is cyclopent-3-en-1-yl-[(8S)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone.

Molecular Properties

Compound Namecyclopent-3-en-1-yl-[(8S)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
PubChem CID124913329
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Namecyclopent-3-en-1-yl-[(8S)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
SMILESCc1cncc(OCC[C@@H]2CCOC3(C2)CN(C(=O)C2CC=CC2)C3)n1
InChIInChI=1S/C20H27N3O3/c1-15-11-21-12-18(22-15)25-8-6-16-7-9-26-20(10-16)13-23(14-20)19(24)17-4-2-3-5-17/h2-3,11-12,16-17H,4-10,13-14H2,1H3/t16-/m1/s1
InChIKeyUCOJQKXJMLLYMU-MRXNPFEDSA-N
XLogP2.53
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3-methyl-1,2-oxazol-5-yl)-[(8R)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124913132
(8S)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-2-[(6-methyl-2-pyridinyl)methyl]-5-oxa-2-azaspiro[3.5]nonane
CID 124913239
(8S)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-2-(pyridin-3-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124913089
cyclopent-3-en-1-yl-[(8R)-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124787528
cyclobutyl-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 131692822
2-methoxy-1-[8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 131692619
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
(1-methylpyrazol-4-yl)-[8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 133142531
(8R)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-(2-pyrazin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124803188
3-methoxy-1-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]propan-1-one
CID 131671965
cyclopent-3-en-1-yl-[(8S)-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124787557

Frequently Asked Questions

What is the IUPAC name of cyclopent-3-en-1-yl-[(8S)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?
The IUPAC name of 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) is cyclopent-3-en-1-yl-[(8S)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone.
What is the SMILES notation for cyclopent-3-en-1-yl-[(8S)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?
The canonical SMILES for cyclopent-3-en-1-yl-[(8S)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone is Cc1cncc(OCC[C@@H]2CCOC3(C2)CN(C(=O)C2CC=CC2)C3)n1.
What is the InChIKey of cyclopent-3-en-1-yl-[(8S)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?
The InChIKey is UCOJQKXJMLLYMU-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-15-11-21-12-18(22-15)25-8-6-16-7-9-26-20(10-16)13-23(14-20)19(24)17-4-2-3-5-17/h2-3,11-12,16-17H,4-10,13-14H2,1H3/t16-/m1/s1.
What are the key properties of cyclopent-3-en-1-yl-[(8S)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?
cyclopent-3-en-1-yl-[(8S)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone has a molecular weight of 357.45 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-3-en-1-yl-[(8S)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone is sourced from PubChem (CID 124913329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).