[3-(oxan-4-yl)-2-azaspiro[3.3]heptan-2-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone

C20H28N2O3 — CID 128896964

IUPAC[3-(oxan-4-yl)-2-azaspiro[3.3]heptan-2-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone
SMILESCC(C)Oc1ccc(C(=O)N2CC3(CCC3)C2C2CCOCC2)cn1
InChIInChI=1S/C20H28N2O3/c1-14(2)25-17-5-4-16(12-21-17)19(23)22-13-20(8-3-9-20)18(22)15-6-10-24-11-7-15/h4-5,12,14-15,18H,3,6-11,13H2,1-2H3
InChIKeyYKQAJXRVJXWKFE-UHFFFAOYSA-N
MW344.45 g/mol
LogP3.29
Rot. Bonds4

About [3-(oxan-4-yl)-2-azaspiro[3.3]heptan-2-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone

[3-(oxan-4-yl)-2-azaspiro[3.3]heptan-2-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone (PubChem CID 128896964) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is [3-(oxan-4-yl)-2-azaspiro[3.3]heptan-2-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name[3-(oxan-4-yl)-2-azaspiro[3.3]heptan-2-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone
PubChem CID128896964
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name[3-(oxan-4-yl)-2-azaspiro[3.3]heptan-2-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone
SMILESCC(C)Oc1ccc(C(=O)N2CC3(CCC3)C2C2CCOCC2)cn1
InChIInChI=1S/C20H28N2O3/c1-14(2)25-17-5-4-16(12-21-17)19(23)22-13-20(8-3-9-20)18(22)15-6-10-24-11-7-15/h4-5,12,14-15,18H,3,6-11,13H2,1-2H3
InChIKeyYKQAJXRVJXWKFE-UHFFFAOYSA-N
XLogP3.29
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-(oxan-4-yl)-2-azaspiro[3.3]heptan-2-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-acetyl-2-pyridinyl)-3-(oxan-4-yl)-2-azaspiro[3.3]heptane-2-carboxamide
CID 136548964
(2-chlorofuran-3-yl)-[3-(oxan-4-yl)-2-azaspiro[3.3]heptan-2-yl]methanone
CID 138000825
(2S)-6-(6-propan-2-yloxypyridine-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 129467007
(2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)-(6-propan-2-yloxy-3-pyridinyl)methanone
CID 122273397
(4-hydroxypiperidin-1-yl)-(6-propan-2-yloxy-3-pyridinyl)methanone
CID 110890106
6-propan-2-yloxy-N-(4-pyrimidin-2-yloxan-4-yl)pyridine-3-carboxamide
CID 138024815
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone
CID 122279552
N-(5-chloro-2-pyridinyl)-3-(oxan-4-yl)-2-azaspiro[3.3]heptane-2-carboxamide
CID 128882243
[(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone
CID 97018716
methyl 1-[6-(oxan-4-yloxy)pyridine-3-carbonyl]piperidine-2-carboxylate
CID 91815364
[6-(oxolan-3-yloxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone;hydrochloride
CID 68927330
[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone
CID 90639741

Frequently Asked Questions

What is the IUPAC name of [3-(oxan-4-yl)-2-azaspiro[3.3]heptan-2-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone?
The IUPAC name of [3-(oxan-4-yl)-2-azaspiro[3.3]heptan-2-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone (CID 128896964) is [3-(oxan-4-yl)-2-azaspiro[3.3]heptan-2-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone.
What is the SMILES notation for [3-(oxan-4-yl)-2-azaspiro[3.3]heptan-2-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone?
The canonical SMILES for [3-(oxan-4-yl)-2-azaspiro[3.3]heptan-2-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone is CC(C)Oc1ccc(C(=O)N2CC3(CCC3)C2C2CCOCC2)cn1.
What is the InChIKey of [3-(oxan-4-yl)-2-azaspiro[3.3]heptan-2-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone?
The InChIKey is YKQAJXRVJXWKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-14(2)25-17-5-4-16(12-21-17)19(23)22-13-20(8-3-9-20)18(22)15-6-10-24-11-7-15/h4-5,12,14-15,18H,3,6-11,13H2,1-2H3.
What are the key properties of [3-(oxan-4-yl)-2-azaspiro[3.3]heptan-2-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone?
[3-(oxan-4-yl)-2-azaspiro[3.3]heptan-2-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone has a molecular weight of 344.45 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(oxan-4-yl)-2-azaspiro[3.3]heptan-2-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone is sourced from PubChem (CID 128896964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).