1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)octan-1-one

C16H29NO3 — CID 122136542

IUPAC1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)octan-1-one
SMILESCCCCCCCC(=O)N1CCC2(CC1)OCCCO2
InChIInChI=1S/C16H29NO3/c1-2-3-4-5-6-8-15(18)17-11-9-16(10-12-17)19-13-7-14-20-16/h2-14H2,1H3
InChIKeyWPRAEJXTLXOATR-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.10
Rot. Bonds6

About 1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)octan-1-one

1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)octan-1-one (PubChem CID 122136542) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)octan-1-one.

Molecular Properties

Compound Name1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)octan-1-one
PubChem CID122136542
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)octan-1-one
SMILESCCCCCCCC(=O)N1CCC2(CC1)OCCCO2
InChIInChI=1S/C16H29NO3/c1-2-3-4-5-6-8-15(18)17-11-9-16(10-12-17)19-13-7-14-20-16/h2-14H2,1H3
InChIKeyWPRAEJXTLXOATR-UHFFFAOYSA-N
XLogP3.10
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)octan-1-one 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

1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)heptan-1-one
CID 115775416
1-(4-decanoyl-1,4-diazepan-1-yl)decan-1-one
CID 4155089
1-pyrrolidin-1-ylheptadecan-1-one
CID 574649
5-bromo-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pentan-1-one
CID 107910404
1-(4-octadecanoylpiperazin-1-yl)octadecan-1-one
CID 550164
1-(4-hydroxy-4-methylpiperidin-1-yl)nonan-1-one
CID 80707384
3-cyclohexyl-1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one
CID 90510415
1-(4-hydroxy-4-methylazepan-1-yl)heptan-1-one
CID 107406036
1-morpholin-4-ylheptan-1-one;hydrochloride
CID 175124060
6-(azepan-1-yl)-6-oxohexanamide;dodecane
CID 174982677
1-(4-hydroxy-4-methylazepan-1-yl)hexan-1-one
CID 107406032
4-methyl-1-octanoylpiperidine-4-carbonitrile
CID 113364826

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)octan-1-one?
The IUPAC name of 1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)octan-1-one (CID 122136542) is 1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)octan-1-one.
What is the SMILES notation for 1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)octan-1-one?
The canonical SMILES for 1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)octan-1-one is CCCCCCCC(=O)N1CCC2(CC1)OCCCO2.
What is the InChIKey of 1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)octan-1-one?
The InChIKey is WPRAEJXTLXOATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-2-3-4-5-6-8-15(18)17-11-9-16(10-12-17)19-13-7-14-20-16/h2-14H2,1H3.
What are the key properties of 1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)octan-1-one?
1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)octan-1-one has a molecular weight of 283.41 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)octan-1-one is sourced from PubChem (CID 122136542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).