6-azaspiro[2.5]octan-6-yl-(3-bromo-4-methylphenyl)methanone

C15H18BrNO — CID 167530654

IUPAC6-azaspiro[2.5]octan-6-yl-(3-bromo-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC3(CC2)CC3)cc1Br
InChIInChI=1S/C15H18BrNO/c1-11-2-3-12(10-13(11)16)14(18)17-8-6-15(4-5-15)7-9-17/h2-3,10H,4-9H2,1H3
InChIKeyGSXQSXIKECNDFN-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.77
Rot. Bonds1

About 6-azaspiro[2.5]octan-6-yl-(3-bromo-4-methylphenyl)methanone

6-azaspiro[2.5]octan-6-yl-(3-bromo-4-methylphenyl)methanone (PubChem CID 167530654) has the molecular formula C15H18BrNO and a molecular weight of 308.22 g/mol. Its IUPAC name is 6-azaspiro[2.5]octan-6-yl-(3-bromo-4-methylphenyl)methanone.

Molecular Properties

Compound Name6-azaspiro[2.5]octan-6-yl-(3-bromo-4-methylphenyl)methanone
PubChem CID167530654
Molecular FormulaC15H18BrNO
Molecular Weight308.22 g/mol
Exact Mass307.06
IUPAC Name6-azaspiro[2.5]octan-6-yl-(3-bromo-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC3(CC2)CC3)cc1Br
InChIInChI=1S/C15H18BrNO/c1-11-2-3-12(10-13(11)16)14(18)17-8-6-15(4-5-15)7-9-17/h2-3,10H,4-9H2,1H3
InChIKeyGSXQSXIKECNDFN-UHFFFAOYSA-N
XLogP3.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-4-methylphenyl)-piperidin-1-ylmethanone
CID 675721
(3-bromo-4-methylphenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 79458140
(3-bromo-4-methylphenyl)-piperazin-1-ylmethanone
CID 81469486
1-[4-(3-bromo-4-methylbenzoyl)-1,4-diazepan-1-yl]ethanone
CID 79466924
6-azaspiro[2.5]octan-6-yl-(4-bromo-3-chlorophenyl)methanone
CID 167530662
(3-bromo-4-methylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563275
(3-bromo-4-methylphenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 81476430
aziridin-1-yl-(4-bromo-3-methylphenyl)methanone
CID 131112534
8-azaspiro[4.5]decan-8-yl-(4-bromo-3-chlorophenyl)methanone
CID 81307681
2-[1-(3-bromo-4-methylbenzoyl)piperidin-4-yl]acetic acid
CID 81360577
(3-amino-4-bromophenyl)-(3-azaspiro[5.5]undecan-3-yl)methanone
CID 62935978
1-(3-bromo-4-methylbenzoyl)-N'-hydroxypiperidine-4-carboximidamide
CID 81476577

Frequently Asked Questions

What is the IUPAC name of 6-azaspiro[2.5]octan-6-yl-(3-bromo-4-methylphenyl)methanone?
The IUPAC name of 6-azaspiro[2.5]octan-6-yl-(3-bromo-4-methylphenyl)methanone (CID 167530654) is 6-azaspiro[2.5]octan-6-yl-(3-bromo-4-methylphenyl)methanone.
What is the SMILES notation for 6-azaspiro[2.5]octan-6-yl-(3-bromo-4-methylphenyl)methanone?
The canonical SMILES for 6-azaspiro[2.5]octan-6-yl-(3-bromo-4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCC3(CC2)CC3)cc1Br.
What is the InChIKey of 6-azaspiro[2.5]octan-6-yl-(3-bromo-4-methylphenyl)methanone?
The InChIKey is GSXQSXIKECNDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO/c1-11-2-3-12(10-13(11)16)14(18)17-8-6-15(4-5-15)7-9-17/h2-3,10H,4-9H2,1H3.
What are the key properties of 6-azaspiro[2.5]octan-6-yl-(3-bromo-4-methylphenyl)methanone?
6-azaspiro[2.5]octan-6-yl-(3-bromo-4-methylphenyl)methanone has a molecular weight of 308.22 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azaspiro[2.5]octan-6-yl-(3-bromo-4-methylphenyl)methanone is sourced from PubChem (CID 167530654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).