2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide

C15H19N3O4 — CID 44902292

IUPAC2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(NCc1ccncc1)C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C15H19N3O4/c19-13(17-11-12-1-5-16-6-2-12)14(20)18-7-3-15(4-8-18)21-9-10-22-15/h1-2,5-6H,3-4,7-11H2,(H,17,19)
InChIKeyBMAIVMYHRWDSSD-UHFFFAOYSA-N
MW305.33 g/mol
LogP0.06
Rot. Bonds2

About 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide

2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 44902292) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide
PubChem CID44902292
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(NCc1ccncc1)C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C15H19N3O4/c19-13(17-11-12-1-5-16-6-2-12)14(20)18-7-3-15(4-8-18)21-9-10-22-15/h1-2,5-6H,3-4,7-11H2,(H,17,19)
InChIKeyBMAIVMYHRWDSSD-UHFFFAOYSA-N
XLogP0.06
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide
CID 44901827
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(pyridin-4-ylmethyl)benzamide
CID 109047737
N-benzyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 3729330
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxo-N-propylacetamide
CID 108983892
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(4-methoxyphenyl)ethyl]-2-oxoacetamide
CID 108985514
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-ethylphenyl)-2-oxoacetamide
CID 44999558
N-(4-acetamidophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide
CID 45001311
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-oxo-N-(pyridin-3-ylmethyl)propanamide
CID 108963508
2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-N-(pyridin-4-ylmethyl)acetamide
CID 44998680
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-oxoacetamide
CID 108985431
N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(pyridin-4-ylmethyl)acetamide
CID 113120592
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 109148778

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide (CID 44902292) is 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide is O=C(NCc1ccncc1)C(=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is BMAIVMYHRWDSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c19-13(17-11-12-1-5-16-6-2-12)14(20)18-7-3-15(4-8-18)21-9-10-22-15/h1-2,5-6H,3-4,7-11H2,(H,17,19).
What are the key properties of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide?
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 305.33 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 44902292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).