(2-bromophenyl)-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone

C16H21BrN2O — CID 112534290

IUPAC(2-bromophenyl)-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
SMILESCN1CCC2(CC1)CCN(C(=O)c1ccccc1Br)C2
InChIInChI=1S/C16H21BrN2O/c1-18-9-6-16(7-10-18)8-11-19(12-16)15(20)13-4-2-3-5-14(13)17/h2-5H,6-12H2,1H3
InChIKeyBYWXCJMYPJUCPB-UHFFFAOYSA-N
MW337.26 g/mol
LogP3.01
Rot. Bonds1

About (2-bromophenyl)-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone

(2-bromophenyl)-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone (PubChem CID 112534290) has the molecular formula C16H21BrN2O and a molecular weight of 337.26 g/mol. Its IUPAC name is (2-bromophenyl)-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone.

Molecular Properties

Compound Name(2-bromophenyl)-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
PubChem CID112534290
Molecular FormulaC16H21BrN2O
Molecular Weight337.26 g/mol
Exact Mass336.08
IUPAC Name(2-bromophenyl)-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
SMILESCN1CCC2(CC1)CCN(C(=O)c1ccccc1Br)C2
InChIInChI=1S/C16H21BrN2O/c1-18-9-6-16(7-10-18)8-11-19(12-16)15(20)13-4-2-3-5-14(13)17/h2-5H,6-12H2,1H3
InChIKeyBYWXCJMYPJUCPB-UHFFFAOYSA-N
XLogP3.01
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzothiophen-3-yl-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
CID 122158370
1H-indol-3-yl-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
CID 50985596
(2-bromophenyl)-(3,3-dimethylazetidin-1-yl)methanone
CID 130958890
1-methyl-3-(9-methyl-2,9-diazaspiro[5.5]undecane-2-carbonyl)pyridin-2-one
CID 155874685
(2-fluorophenyl)-(9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155851704
[4-(2-bromobenzoyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 108534141
(2-bromophenyl)-(3,3-dimethylpiperazin-1-yl)methanone
CID 79015131
(2-methoxy-5-methylphenyl)-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
CID 112534319
(3-bromo-2-methylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103727013
1-(2-bromobenzoyl)-3-propylpiperidine-3-carboxylic acid
CID 63134142
[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 95043098
1-[4-(2-bromobenzoyl)piperazin-1-yl]propan-1-one
CID 52867615

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone?
The IUPAC name of (2-bromophenyl)-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone (CID 112534290) is (2-bromophenyl)-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone.
What is the SMILES notation for (2-bromophenyl)-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone?
The canonical SMILES for (2-bromophenyl)-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone is CN1CCC2(CC1)CCN(C(=O)c1ccccc1Br)C2.
What is the InChIKey of (2-bromophenyl)-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone?
The InChIKey is BYWXCJMYPJUCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O/c1-18-9-6-16(7-10-18)8-11-19(12-16)15(20)13-4-2-3-5-14(13)17/h2-5H,6-12H2,1H3.
What are the key properties of (2-bromophenyl)-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone?
(2-bromophenyl)-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone has a molecular weight of 337.26 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone is sourced from PubChem (CID 112534290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).