8-azaspiro[4.5]decan-8-yl-(5-bromo-2-pyridinyl)methanone

C15H19BrN2O — CID 63161313

IUPAC8-azaspiro[4.5]decan-8-yl-(5-bromo-2-pyridinyl)methanone
SMILESO=C(c1ccc(Br)cn1)N1CCC2(CCCC2)CC1
InChIInChI=1S/C15H19BrN2O/c16-12-3-4-13(17-11-12)14(19)18-9-7-15(8-10-18)5-1-2-6-15/h3-4,11H,1-2,5-10H2
InChIKeyOFBIITOJIHZLPG-UHFFFAOYSA-N
MW323.23 g/mol
LogP3.64
Rot. Bonds1

About 8-azaspiro[4.5]decan-8-yl-(5-bromo-2-pyridinyl)methanone

8-azaspiro[4.5]decan-8-yl-(5-bromo-2-pyridinyl)methanone (PubChem CID 63161313) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is 8-azaspiro[4.5]decan-8-yl-(5-bromo-2-pyridinyl)methanone.

Molecular Properties

Compound Name8-azaspiro[4.5]decan-8-yl-(5-bromo-2-pyridinyl)methanone
PubChem CID63161313
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC Name8-azaspiro[4.5]decan-8-yl-(5-bromo-2-pyridinyl)methanone
SMILESO=C(c1ccc(Br)cn1)N1CCC2(CCCC2)CC1
InChIInChI=1S/C15H19BrN2O/c16-12-3-4-13(17-11-12)14(19)18-9-7-15(8-10-18)5-1-2-6-15/h3-4,11H,1-2,5-10H2
InChIKeyOFBIITOJIHZLPG-UHFFFAOYSA-N
XLogP3.64
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2-pyridinyl)-(1,1-dihydroxy-1,4-thiazinan-4-yl)methanone
CID 68626889
3-azaspiro[5.5]undecan-3-yl-[5-(methylamino)-2-pyridinyl]methanone
CID 104641203
(5-bromo-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103727006
(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(5-bromo-2-pyridinyl)methanone
CID 81097012
1-(5-bromopyridine-2-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 63125731
[4-(2-bromoethyl)-1,4-diazepan-1-yl]-(5-bromo-2-pyridinyl)methanone
CID 80666142
8-azaspiro[4.5]decan-8-yl-(2-bromo-4-pyridinyl)methanone
CID 103755510
(5-bromo-2-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 62953905
2-[4-(5-bromopyridine-2-carbonyl)piperazin-1-yl]ethanethioamide
CID 63336421
(5-bromo-2-pyridinyl)-(4-ethoxypiperidin-1-yl)methanone
CID 62954265
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-bromo-2-pyridinyl)methanone
CID 120816364
2-[4-(5-bromopyridine-2-carbonyl)piperazin-1-yl]-2-methylpropanenitrile
CID 63337357

Frequently Asked Questions

What is the IUPAC name of 8-azaspiro[4.5]decan-8-yl-(5-bromo-2-pyridinyl)methanone?
The IUPAC name of 8-azaspiro[4.5]decan-8-yl-(5-bromo-2-pyridinyl)methanone (CID 63161313) is 8-azaspiro[4.5]decan-8-yl-(5-bromo-2-pyridinyl)methanone.
What is the SMILES notation for 8-azaspiro[4.5]decan-8-yl-(5-bromo-2-pyridinyl)methanone?
The canonical SMILES for 8-azaspiro[4.5]decan-8-yl-(5-bromo-2-pyridinyl)methanone is O=C(c1ccc(Br)cn1)N1CCC2(CCCC2)CC1.
What is the InChIKey of 8-azaspiro[4.5]decan-8-yl-(5-bromo-2-pyridinyl)methanone?
The InChIKey is OFBIITOJIHZLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c16-12-3-4-13(17-11-12)14(19)18-9-7-15(8-10-18)5-1-2-6-15/h3-4,11H,1-2,5-10H2.
What are the key properties of 8-azaspiro[4.5]decan-8-yl-(5-bromo-2-pyridinyl)methanone?
8-azaspiro[4.5]decan-8-yl-(5-bromo-2-pyridinyl)methanone has a molecular weight of 323.23 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azaspiro[4.5]decan-8-yl-(5-bromo-2-pyridinyl)methanone is sourced from PubChem (CID 63161313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).