8-azaspiro[4.5]decan-8-yl-(2-bromo-4-pyridinyl)methanone

C15H19BrN2O — CID 103755510

IUPAC8-azaspiro[4.5]decan-8-yl-(2-bromo-4-pyridinyl)methanone
SMILESO=C(c1ccnc(Br)c1)N1CCC2(CCCC2)CC1
InChIInChI=1S/C15H19BrN2O/c16-13-11-12(3-8-17-13)14(19)18-9-6-15(7-10-18)4-1-2-5-15/h3,8,11H,1-2,4-7,9-10H2
InChIKeyNDYXFVRUXYUCJG-UHFFFAOYSA-N
MW323.23 g/mol
LogP3.64
Rot. Bonds1

About 8-azaspiro[4.5]decan-8-yl-(2-bromo-4-pyridinyl)methanone

8-azaspiro[4.5]decan-8-yl-(2-bromo-4-pyridinyl)methanone (PubChem CID 103755510) 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-(2-bromo-4-pyridinyl)methanone.

Molecular Properties

Compound Name8-azaspiro[4.5]decan-8-yl-(2-bromo-4-pyridinyl)methanone
PubChem CID103755510
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC Name8-azaspiro[4.5]decan-8-yl-(2-bromo-4-pyridinyl)methanone
SMILESO=C(c1ccnc(Br)c1)N1CCC2(CCCC2)CC1
InChIInChI=1S/C15H19BrN2O/c16-13-11-12(3-8-17-13)14(19)18-9-6-15(7-10-18)4-1-2-5-15/h3,8,11H,1-2,4-7,9-10H2
InChIKeyNDYXFVRUXYUCJG-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2-amino-4-pyridinyl)-(8-azaspiro[4.5]decan-8-yl)methanone
CID 63161919
8-(2-bromopyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 103755680
(2-bromo-4-pyridinyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 103755134
3-azaspiro[5.5]undecan-3-yl-[2-(methylamino)-4-pyridinyl]methanone
CID 62930860
(2-bromo-4-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
CID 103752322
8-azaspiro[4.5]decan-8-yl-(4-bromo-3-chlorophenyl)methanone
CID 81307681
(3-amino-4-bromophenyl)-(3-azaspiro[5.5]undecan-3-yl)methanone
CID 62935978
1-(2-bromopyridine-4-carbonyl)-3-methylpyrrolidine-3-carboxamide
CID 114081850
(2-bromo-4-pyridinyl)-(4-methylazepan-1-yl)methanone
CID 103754999
(2-bromo-4-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 103754389
(2-bromo-4-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone
CID 103754387
8-azaspiro[4.5]decan-8-yl-(5-bromo-2-pyridinyl)methanone
CID 63161313

Frequently Asked Questions

What is the IUPAC name of 8-azaspiro[4.5]decan-8-yl-(2-bromo-4-pyridinyl)methanone?
The IUPAC name of 8-azaspiro[4.5]decan-8-yl-(2-bromo-4-pyridinyl)methanone (CID 103755510) is 8-azaspiro[4.5]decan-8-yl-(2-bromo-4-pyridinyl)methanone.
What is the SMILES notation for 8-azaspiro[4.5]decan-8-yl-(2-bromo-4-pyridinyl)methanone?
The canonical SMILES for 8-azaspiro[4.5]decan-8-yl-(2-bromo-4-pyridinyl)methanone is O=C(c1ccnc(Br)c1)N1CCC2(CCCC2)CC1.
What is the InChIKey of 8-azaspiro[4.5]decan-8-yl-(2-bromo-4-pyridinyl)methanone?
The InChIKey is NDYXFVRUXYUCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c16-13-11-12(3-8-17-13)14(19)18-9-6-15(7-10-18)4-1-2-5-15/h3,8,11H,1-2,4-7,9-10H2.
What are the key properties of 8-azaspiro[4.5]decan-8-yl-(2-bromo-4-pyridinyl)methanone?
8-azaspiro[4.5]decan-8-yl-(2-bromo-4-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-(2-bromo-4-pyridinyl)methanone is sourced from PubChem (CID 103755510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).