(3,5-dibromophenyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone

C14H15Br2NO3 — CID 103909366

IUPAC(3,5-dibromophenyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone
SMILESO=C(c1cc(Br)cc(Br)c1)N1CCCC2(C1)OCCO2
InChIInChI=1S/C14H15Br2NO3/c15-11-6-10(7-12(16)8-11)13(18)17-3-1-2-14(9-17)19-4-5-20-14/h6-8H,1-5,9H2
InChIKeyQEUTWWYJXRDASN-UHFFFAOYSA-N
MW405.09 g/mol
LogP3.19
Rot. Bonds1

About (3,5-dibromophenyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone

(3,5-dibromophenyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone (PubChem CID 103909366) has the molecular formula C14H15Br2NO3 and a molecular weight of 405.09 g/mol. Its IUPAC name is (3,5-dibromophenyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone.

Molecular Properties

Compound Name(3,5-dibromophenyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone
PubChem CID103909366
Molecular FormulaC14H15Br2NO3
Molecular Weight405.09 g/mol
Exact Mass402.94
IUPAC Name(3,5-dibromophenyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone
SMILESO=C(c1cc(Br)cc(Br)c1)N1CCCC2(C1)OCCO2
InChIInChI=1S/C14H15Br2NO3/c15-11-6-10(7-12(16)8-11)13(18)17-3-1-2-14(9-17)19-4-5-20-14/h6-8H,1-5,9H2
InChIKeyQEUTWWYJXRDASN-UHFFFAOYSA-N
XLogP3.19
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.09
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-5-methylphenyl)-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone
CID 99631542
1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(5-fluoro-3-pyridinyl)methanone
CID 113340544
(3,5-dibromophenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107470761
(5-bromothiophen-3-yl)-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone
CID 130914668
(2,6-dihydroxyphenyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 103890671
(5-chlorofuran-2-yl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 103845819
(2,4-dihydroxyphenyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 103892687
1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(5-ethyl-3-methylfuran-2-yl)methanone
CID 97246391
(3,5-dibromophenyl)-(3,3-difluoropyrrolidin-1-yl)methanone
CID 155289431
(3-bromo-5-methylphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 113463392
1,4-dioxa-9-azaspiro[4.5]decan-9-yl(1,3-thiazol-5-yl)methanone
CID 103860774
1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(1-methylpyrazol-3-yl)methanone
CID 103860781

Frequently Asked Questions

What is the IUPAC name of (3,5-dibromophenyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone?
The IUPAC name of (3,5-dibromophenyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone (CID 103909366) is (3,5-dibromophenyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone.
What is the SMILES notation for (3,5-dibromophenyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone?
The canonical SMILES for (3,5-dibromophenyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone is O=C(c1cc(Br)cc(Br)c1)N1CCCC2(C1)OCCO2.
What is the InChIKey of (3,5-dibromophenyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone?
The InChIKey is QEUTWWYJXRDASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2NO3/c15-11-6-10(7-12(16)8-11)13(18)17-3-1-2-14(9-17)19-4-5-20-14/h6-8H,1-5,9H2.
What are the key properties of (3,5-dibromophenyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone?
(3,5-dibromophenyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone has a molecular weight of 405.09 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dibromophenyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone is sourced from PubChem (CID 103909366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).