1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)heptan-1-one

C14H25NO3 — CID 115775416

IUPAC1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)heptan-1-one
SMILESCCCCCCC(=O)N1CCCC2(C1)OCCO2
InChIInChI=1S/C14H25NO3/c1-2-3-4-5-7-13(16)15-9-6-8-14(12-15)17-10-11-18-14/h2-12H2,1H3
InChIKeyJCPFXCVLCLIMTL-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.32
Rot. Bonds5

About 1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)heptan-1-one

1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)heptan-1-one (PubChem CID 115775416) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)heptan-1-one.

Molecular Properties

Compound Name1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)heptan-1-one
PubChem CID115775416
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)heptan-1-one
SMILESCCCCCCC(=O)N1CCCC2(C1)OCCO2
InChIInChI=1S/C14H25NO3/c1-2-3-4-5-7-13(16)15-9-6-8-14(12-15)17-10-11-18-14/h2-12H2,1H3
InChIKeyJCPFXCVLCLIMTL-UHFFFAOYSA-N
XLogP2.32
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)octan-1-one
CID 122136542
1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3-methylpentan-1-one
CID 114874861
1-pyrrolidin-1-ylheptadecan-1-one
CID 574649
2-amino-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)hexan-1-one
CID 86784355
1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-(3-ethoxycyclobutyl)ethanone
CID 103163779
1-(4-decanoyl-1,4-diazepan-1-yl)decan-1-one
CID 4155089
1-(4-hydroxy-4-methylazepan-1-yl)heptan-1-one
CID 107406036
1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 112602810
2-amino-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)pentan-1-one
CID 86784353
1-(4-octadecanoylpiperazin-1-yl)octadecan-1-one
CID 550164
1-(4-hydroxy-4-methylazepan-1-yl)hexan-1-one
CID 107406032
1-morpholin-4-ylheptan-1-one;hydrochloride
CID 175124060

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)heptan-1-one?
The IUPAC name of 1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)heptan-1-one (CID 115775416) is 1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)heptan-1-one.
What is the SMILES notation for 1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)heptan-1-one?
The canonical SMILES for 1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)heptan-1-one is CCCCCCC(=O)N1CCCC2(C1)OCCO2.
What is the InChIKey of 1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)heptan-1-one?
The InChIKey is JCPFXCVLCLIMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-2-3-4-5-7-13(16)15-9-6-8-14(12-15)17-10-11-18-14/h2-12H2,1H3.
What are the key properties of 1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)heptan-1-one?
1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)heptan-1-one has a molecular weight of 255.36 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)heptan-1-one is sourced from PubChem (CID 115775416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).