[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl] acetate

C16H19NO5 — CID 57224433

IUPAC[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl] acetate
SMILESCC(=O)Oc1cccc(C(=O)N2CCC3(CC2)OCCO3)c1
InChIInChI=1S/C16H19NO5/c1-12(18)22-14-4-2-3-13(11-14)15(19)17-7-5-16(6-8-17)20-9-10-21-16/h2-4,11H,5-10H2,1H3
InChIKeyWLYGNDIVCZTKMZ-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.59
Rot. Bonds2

About [3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl] acetate

[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl] acetate (PubChem CID 57224433) has the molecular formula C16H19NO5 and a molecular weight of 305.33 g/mol. Its IUPAC name is [3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl] acetate.

Molecular Properties

Compound Name[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl] acetate
PubChem CID57224433
Molecular FormulaC16H19NO5
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC Name[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl] acetate
SMILESCC(=O)Oc1cccc(C(=O)N2CCC3(CC2)OCCO3)c1
InChIInChI=1S/C16H19NO5/c1-12(18)22-14-4-2-3-13(11-14)15(19)17-7-5-16(6-8-17)20-9-10-21-16/h2-4,11H,5-10H2,1H3
InChIKeyWLYGNDIVCZTKMZ-UHFFFAOYSA-N
XLogP1.59
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenoxy]acetamide
CID 43057736
[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051667
[3-(4-methylpiperazine-1-carbonyl)phenyl] acetate
CID 17308715
[3-[4-(3,5-dimethoxybenzoyl)piperazine-1-carbonyl]phenyl] acetate
CID 108533189
[3-[4-(3-methylbenzoyl)-1,4-diazepane-1-carbonyl]phenyl] acetate
CID 108543535
tert-butyl 4-(3-acetyloxybenzoyl)piperazine-1-carboxylate
CID 67312875
[3-[4-(2-iodobenzoyl)piperazine-1-carbonyl]phenyl] acetate
CID 108926732
[3-[4-(3,4,5-trihydroxybenzoyl)-1,4-diazepane-1-carbonyl]phenyl] acetate
CID 108543502
[3-[(4-chloropyrazol-1-yl)methoxy]phenyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 19616228
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(3-methoxyanilino)pyrimidin-5-yl]methanone
CID 109261611
[3-[4-(4-phenylbenzoyl)-1,4-diazepane-1-carbonyl]phenyl] acetate
CID 108543481
[6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 20929909

Frequently Asked Questions

What is the IUPAC name of [3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl] acetate?
The IUPAC name of [3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl] acetate (CID 57224433) is [3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl] acetate.
What is the SMILES notation for [3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl] acetate?
The canonical SMILES for [3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl] acetate is CC(=O)Oc1cccc(C(=O)N2CCC3(CC2)OCCO3)c1.
What is the InChIKey of [3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl] acetate?
The InChIKey is WLYGNDIVCZTKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5/c1-12(18)22-14-4-2-3-13(11-14)15(19)17-7-5-16(6-8-17)20-9-10-21-16/h2-4,11H,5-10H2,1H3.
What are the key properties of [3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl] acetate?
[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl] acetate has a molecular weight of 305.33 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl] acetate is sourced from PubChem (CID 57224433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).