(2-cyclohexyloxy-4-pyridinyl)-(2-ethoxy-6-azaspiro[3.4]octan-6-yl)methanone

C21H30N2O3 — CID 126799880

IUPAC(2-cyclohexyloxy-4-pyridinyl)-(2-ethoxy-6-azaspiro[3.4]octan-6-yl)methanone
SMILESCCOC1CC2(CCN(C(=O)c3ccnc(OC4CCCCC4)c3)C2)C1
InChIInChI=1S/C21H30N2O3/c1-2-25-18-13-21(14-18)9-11-23(15-21)20(24)16-8-10-22-19(12-16)26-17-6-4-3-5-7-17/h8,10,12,17-18H,2-7,9,11,13-15H2,1H3
InChIKeyGTNWNUHNTHZBBI-UHFFFAOYSA-N
MW358.48 g/mol
LogP3.82
Rot. Bonds5

About (2-cyclohexyloxy-4-pyridinyl)-(2-ethoxy-6-azaspiro[3.4]octan-6-yl)methanone

(2-cyclohexyloxy-4-pyridinyl)-(2-ethoxy-6-azaspiro[3.4]octan-6-yl)methanone (PubChem CID 126799880) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is (2-cyclohexyloxy-4-pyridinyl)-(2-ethoxy-6-azaspiro[3.4]octan-6-yl)methanone.

Molecular Properties

Compound Name(2-cyclohexyloxy-4-pyridinyl)-(2-ethoxy-6-azaspiro[3.4]octan-6-yl)methanone
PubChem CID126799880
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name(2-cyclohexyloxy-4-pyridinyl)-(2-ethoxy-6-azaspiro[3.4]octan-6-yl)methanone
SMILESCCOC1CC2(CCN(C(=O)c3ccnc(OC4CCCCC4)c3)C2)C1
InChIInChI=1S/C21H30N2O3/c1-2-25-18-13-21(14-18)9-11-23(15-21)20(24)16-8-10-22-19(12-16)26-17-6-4-3-5-7-17/h8,10,12,17-18H,2-7,9,11,13-15H2,1H3
InChIKeyGTNWNUHNTHZBBI-UHFFFAOYSA-N
XLogP3.82
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-cyclohexyloxy-4-pyridinyl)-(2-ethoxy-6-azaspiro[3.4]octan-6-yl)methanone with MolForge

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Related Compounds

1-(2-cyclobutyloxypyridine-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 120529143
1-(2-cyclohexyloxypyridine-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 120528150
(2-cyclohexyloxy-4-pyridinyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023950
(2-ethoxy-6-azaspiro[3.4]octan-6-yl)-[1-(pyridine-3-carbonyl)piperidin-2-yl]methanone
CID 126806798
1-(2-cyclohexyloxypyridine-4-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 126790565
(1S,6R,7R)-3-(2-cyclobutyloxypyridine-4-carbonyl)-3-azabicyclo[4.1.0]heptane-7-carboxylic acid
CID 167883339
[(2R)-4-(2-cyclohexyloxypyridine-4-carbonyl)morpholin-2-yl]-cyclopropylmethanone
CID 99801024
(2-butan-2-yloxy-4-pyridinyl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone
CID 84596637
3-fluoro-1-[2-(oxolan-3-yloxy)pyridine-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 120529740
2-ethyl-8-(2-methoxypyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 70780066
(2-ethoxy-6-azaspiro[3.4]octan-6-yl)-(1-phenylpyrrolidin-2-yl)methanone
CID 126812869
[2-[(2S)-butan-2-yl]oxy-4-pyridinyl]-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]methanone
CID 99776885

Frequently Asked Questions

What is the IUPAC name of (2-cyclohexyloxy-4-pyridinyl)-(2-ethoxy-6-azaspiro[3.4]octan-6-yl)methanone?
The IUPAC name of (2-cyclohexyloxy-4-pyridinyl)-(2-ethoxy-6-azaspiro[3.4]octan-6-yl)methanone (CID 126799880) is (2-cyclohexyloxy-4-pyridinyl)-(2-ethoxy-6-azaspiro[3.4]octan-6-yl)methanone.
What is the SMILES notation for (2-cyclohexyloxy-4-pyridinyl)-(2-ethoxy-6-azaspiro[3.4]octan-6-yl)methanone?
The canonical SMILES for (2-cyclohexyloxy-4-pyridinyl)-(2-ethoxy-6-azaspiro[3.4]octan-6-yl)methanone is CCOC1CC2(CCN(C(=O)c3ccnc(OC4CCCCC4)c3)C2)C1.
What is the InChIKey of (2-cyclohexyloxy-4-pyridinyl)-(2-ethoxy-6-azaspiro[3.4]octan-6-yl)methanone?
The InChIKey is GTNWNUHNTHZBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-2-25-18-13-21(14-18)9-11-23(15-21)20(24)16-8-10-22-19(12-16)26-17-6-4-3-5-7-17/h8,10,12,17-18H,2-7,9,11,13-15H2,1H3.
What are the key properties of (2-cyclohexyloxy-4-pyridinyl)-(2-ethoxy-6-azaspiro[3.4]octan-6-yl)methanone?
(2-cyclohexyloxy-4-pyridinyl)-(2-ethoxy-6-azaspiro[3.4]octan-6-yl)methanone has a molecular weight of 358.48 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexyloxy-4-pyridinyl)-(2-ethoxy-6-azaspiro[3.4]octan-6-yl)methanone is sourced from PubChem (CID 126799880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).