2-(4-bromophenoxy)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one

C16H20BrNO4 — CID 46568654

IUPAC2-(4-bromophenoxy)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
SMILESCC(Oc1ccc(Br)cc1)C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C16H20BrNO4/c1-12(22-14-4-2-13(17)3-5-14)15(19)18-8-6-16(7-9-18)20-10-11-21-16/h2-5,12H,6-11H2,1H3
InChIKeyUPBIRWYXWYLISJ-UHFFFAOYSA-N
MW370.24 g/mol
LogP2.58
Rot. Bonds3

About 2-(4-bromophenoxy)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one

2-(4-bromophenoxy)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one (PubChem CID 46568654) has the molecular formula C16H20BrNO4 and a molecular weight of 370.24 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one.

Molecular Properties

Compound Name2-(4-bromophenoxy)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
PubChem CID46568654
Molecular FormulaC16H20BrNO4
Molecular Weight370.24 g/mol
Exact Mass369.06
IUPAC Name2-(4-bromophenoxy)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
SMILESCC(Oc1ccc(Br)cc1)C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C16H20BrNO4/c1-12(22-14-4-2-13(17)3-5-14)15(19)18-8-6-16(7-9-18)20-10-11-21-16/h2-5,12H,6-11H2,1H3
InChIKeyUPBIRWYXWYLISJ-UHFFFAOYSA-N
XLogP2.58
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.24
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenoxy)-1-(4-hydroxy-4-methylpiperidin-1-yl)propan-1-one
CID 80707640
(2R)-2-[4-(4-bromophenyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one
CID 8587224
2-(4-bromophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 43391848
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methoxypropan-1-one
CID 115588850
1'-[2-(4-bromophenoxy)propanoyl]-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735051
2-(4-bromophenoxy)-1-(1,4-diazepan-1-yl)propan-1-one
CID 119418410
2-(4-bromophenoxy)-1-(3-hydroxyazetidin-1-yl)propan-1-one
CID 63106235
1-(4-acetylpiperazin-1-yl)-2-(6-bromonaphthalen-2-yl)oxypropan-1-one
CID 78841438
2-(4-bromophenoxy)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 62916938
2-(4-bromophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 66261639
2-(4-bromophenoxy)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 55065748
1'-[2-(4-bromophenoxy)propanoyl]-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108739965

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one?
The IUPAC name of 2-(4-bromophenoxy)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one (CID 46568654) is 2-(4-bromophenoxy)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one.
What is the SMILES notation for 2-(4-bromophenoxy)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one?
The canonical SMILES for 2-(4-bromophenoxy)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one is CC(Oc1ccc(Br)cc1)C(=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of 2-(4-bromophenoxy)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one?
The InChIKey is UPBIRWYXWYLISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO4/c1-12(22-14-4-2-13(17)3-5-14)15(19)18-8-6-16(7-9-18)20-10-11-21-16/h2-5,12H,6-11H2,1H3.
What are the key properties of 2-(4-bromophenoxy)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one?
2-(4-bromophenoxy)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one has a molecular weight of 370.24 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one is sourced from PubChem (CID 46568654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).