(4-methoxy-2-pyridinyl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone

C17H22N2O3 — CID 163305870

IUPAC(4-methoxy-2-pyridinyl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone
SMILESCOc1ccnc(C(=O)N2CCC3(C=C(C)CCO3)CC2)c1
InChIInChI=1S/C17H22N2O3/c1-13-4-10-22-17(12-13)5-8-19(9-6-17)16(20)15-11-14(21-2)3-7-18-15/h3,7,11-12H,4-6,8-10H2,1-2H3
InChIKeyXYVBYZGWRRFDMS-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.43
Rot. Bonds2

About (4-methoxy-2-pyridinyl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone

(4-methoxy-2-pyridinyl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone (PubChem CID 163305870) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is (4-methoxy-2-pyridinyl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone.

Molecular Properties

Compound Name(4-methoxy-2-pyridinyl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone
PubChem CID163305870
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name(4-methoxy-2-pyridinyl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone
SMILESCOc1ccnc(C(=O)N2CCC3(C=C(C)CCO3)CC2)c1
InChIInChI=1S/C17H22N2O3/c1-13-4-10-22-17(12-13)5-8-19(9-6-17)16(20)15-11-14(21-2)3-7-18-15/h3,7,11-12H,4-6,8-10H2,1-2H3
InChIKeyXYVBYZGWRRFDMS-UHFFFAOYSA-N
XLogP2.43
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4-methoxy-2-pyridinyl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 135091721
(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)-(1H-pyrazolo[5,4-b]pyridin-6-yl)methanone
CID 163312209
2-(3,4-dimethoxyphenyl)-1-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)ethanone
CID 135098308
(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)-([1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone
CID 165427231
(2,3-difluoro-6-methoxyphenyl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone;formic acid
CID 166598363
3-methyl-7-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene-9-carbonyl)quinazolin-4-one
CID 135104063
1,3-dimethyl-6-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene-9-carbonyl)pyrimidine-2,4-dione
CID 163309157
[2-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone
CID 164698036
N-[2-[1-(4-methoxypyridine-2-carbonyl)piperidin-4-yl]ethyl]acetamide
CID 91786506
(1-methylindazol-3-yl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone
CID 135093117
(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanone
CID 164697981
(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone
CID 163306529

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2-pyridinyl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone?
The IUPAC name of (4-methoxy-2-pyridinyl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone (CID 163305870) is (4-methoxy-2-pyridinyl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone.
What is the SMILES notation for (4-methoxy-2-pyridinyl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone?
The canonical SMILES for (4-methoxy-2-pyridinyl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone is COc1ccnc(C(=O)N2CCC3(C=C(C)CCO3)CC2)c1.
What is the InChIKey of (4-methoxy-2-pyridinyl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone?
The InChIKey is XYVBYZGWRRFDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-13-4-10-22-17(12-13)5-8-19(9-6-17)16(20)15-11-14(21-2)3-7-18-15/h3,7,11-12H,4-6,8-10H2,1-2H3.
What are the key properties of (4-methoxy-2-pyridinyl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone?
(4-methoxy-2-pyridinyl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone has a molecular weight of 302.37 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2-pyridinyl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone is sourced from PubChem (CID 163305870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).