8-[2-methoxy-5-(3-morpholin-4-ylprop-1-ynyl)-3-pyridinyl]-9-methyl-2,5-dioxa-8-azaspiro[3.5]nonane

C20H27N3O4 — CID 177223741

IUPAC8-[2-methoxy-5-(3-morpholin-4-ylprop-1-ynyl)-3-pyridinyl]-9-methyl-2,5-dioxa-8-azaspiro[3.5]nonane
SMILESCOc1ncc(C#CCN2CCOCC2)cc1N1CCOC2(COC2)C1C
InChIInChI=1S/C20H27N3O4/c1-16-20(14-26-15-20)27-11-8-23(16)18-12-17(13-21-19(18)24-2)4-3-5-22-6-9-25-10-7-22/h12-13,16H,5-11,14-15H2,1-2H3
InChIKeyOOTNRPLOLDYWEK-UHFFFAOYSA-N
MW373.45 g/mol
LogP0.77
Rot. Bonds3

About 8-[2-methoxy-5-(3-morpholin-4-ylprop-1-ynyl)-3-pyridinyl]-9-methyl-2,5-dioxa-8-azaspiro[3.5]nonane

8-[2-methoxy-5-(3-morpholin-4-ylprop-1-ynyl)-3-pyridinyl]-9-methyl-2,5-dioxa-8-azaspiro[3.5]nonane (PubChem CID 177223741) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is 8-[2-methoxy-5-(3-morpholin-4-ylprop-1-ynyl)-3-pyridinyl]-9-methyl-2,5-dioxa-8-azaspiro[3.5]nonane.

Molecular Properties

Compound Name8-[2-methoxy-5-(3-morpholin-4-ylprop-1-ynyl)-3-pyridinyl]-9-methyl-2,5-dioxa-8-azaspiro[3.5]nonane
PubChem CID177223741
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name8-[2-methoxy-5-(3-morpholin-4-ylprop-1-ynyl)-3-pyridinyl]-9-methyl-2,5-dioxa-8-azaspiro[3.5]nonane
SMILESCOc1ncc(C#CCN2CCOCC2)cc1N1CCOC2(COC2)C1C
InChIInChI=1S/C20H27N3O4/c1-16-20(14-26-15-20)27-11-8-23(16)18-12-17(13-21-19(18)24-2)4-3-5-22-6-9-25-10-7-22/h12-13,16H,5-11,14-15H2,1-2H3
InChIKeyOOTNRPLOLDYWEK-UHFFFAOYSA-N
XLogP0.77
TPSA56.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[2-methoxy-5-(3-morpholin-4-ylprop-1-ynyl)-3-pyridinyl]-9-methyl-2,5-dioxa-8-azaspiro[3.5]nonane?
The IUPAC name of 8-[2-methoxy-5-(3-morpholin-4-ylprop-1-ynyl)-3-pyridinyl]-9-methyl-2,5-dioxa-8-azaspiro[3.5]nonane (CID 177223741) is 8-[2-methoxy-5-(3-morpholin-4-ylprop-1-ynyl)-3-pyridinyl]-9-methyl-2,5-dioxa-8-azaspiro[3.5]nonane.
What is the SMILES notation for 8-[2-methoxy-5-(3-morpholin-4-ylprop-1-ynyl)-3-pyridinyl]-9-methyl-2,5-dioxa-8-azaspiro[3.5]nonane?
The canonical SMILES for 8-[2-methoxy-5-(3-morpholin-4-ylprop-1-ynyl)-3-pyridinyl]-9-methyl-2,5-dioxa-8-azaspiro[3.5]nonane is COc1ncc(C#CCN2CCOCC2)cc1N1CCOC2(COC2)C1C.
What is the InChIKey of 8-[2-methoxy-5-(3-morpholin-4-ylprop-1-ynyl)-3-pyridinyl]-9-methyl-2,5-dioxa-8-azaspiro[3.5]nonane?
The InChIKey is OOTNRPLOLDYWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-16-20(14-26-15-20)27-11-8-23(16)18-12-17(13-21-19(18)24-2)4-3-5-22-6-9-25-10-7-22/h12-13,16H,5-11,14-15H2,1-2H3.
What are the key properties of 8-[2-methoxy-5-(3-morpholin-4-ylprop-1-ynyl)-3-pyridinyl]-9-methyl-2,5-dioxa-8-azaspiro[3.5]nonane?
8-[2-methoxy-5-(3-morpholin-4-ylprop-1-ynyl)-3-pyridinyl]-9-methyl-2,5-dioxa-8-azaspiro[3.5]nonane has a molecular weight of 373.45 g/mol, XLogP of 0.77, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-methoxy-5-(3-morpholin-4-ylprop-1-ynyl)-3-pyridinyl]-9-methyl-2,5-dioxa-8-azaspiro[3.5]nonane is sourced from PubChem (CID 177223741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).