8-(3-amino-3-phenylpropyl)-2-[(4-bromophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one

C24H30BrN3O — CID 59998812

IUPAC8-(3-amino-3-phenylpropyl)-2-[(4-bromophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESNC(CCN1CCC2(CC1)CCN(Cc1ccc(Br)cc1)C2=O)c1ccccc1
InChIInChI=1S/C24H30BrN3O/c25-21-8-6-19(7-9-21)18-28-17-13-24(23(28)29)11-15-27(16-12-24)14-10-22(26)20-4-2-1-3-5-20/h1-9,22H,10-18,26H2
InChIKeyNPIBBCFBCMJSBO-UHFFFAOYSA-N
MW456.43 g/mol
LogP4.35
Rot. Bonds6

About 8-(3-amino-3-phenylpropyl)-2-[(4-bromophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one

8-(3-amino-3-phenylpropyl)-2-[(4-bromophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 59998812) has the molecular formula C24H30BrN3O and a molecular weight of 456.43 g/mol. Its IUPAC name is 8-(3-amino-3-phenylpropyl)-2-[(4-bromophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-(3-amino-3-phenylpropyl)-2-[(4-bromophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID59998812
Molecular FormulaC24H30BrN3O
Molecular Weight456.43 g/mol
Exact Mass455.16
IUPAC Name8-(3-amino-3-phenylpropyl)-2-[(4-bromophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESNC(CCN1CCC2(CC1)CCN(Cc1ccc(Br)cc1)C2=O)c1ccccc1
InChIInChI=1S/C24H30BrN3O/c25-21-8-6-19(7-9-21)18-28-17-13-24(23(28)29)11-15-27(16-12-24)14-10-22(26)20-4-2-1-3-5-20/h1-9,22H,10-18,26H2
InChIKeyNPIBBCFBCMJSBO-UHFFFAOYSA-N
XLogP4.35
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.43
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[(4-bromophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylbutanoic acid
CID 59998727
2-[(4-bromophenyl)methyl]-8-[3-(2-methoxyphenyl)-3-phenylpropyl]-2,8-diazaspiro[4.5]decan-1-one
CID 11455593
2-[(4-bromophenyl)methyl]-8-(4-oxo-3-phenyl-4-piperidin-1-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one
CID 59999216
8-[(3S)-3-amino-3-phenylpropyl]-3-[(4-bromophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 11213585
4-[2-[(4-bromophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-N-cyclohexyl-2-phenylbutanamide
CID 59999211
8-[(3S)-3-amino-3-phenylpropyl]-3-[(4-bromophenyl)methyl]-1-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 69210426
tert-butyl N-[3-[2-[(4-bromophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]-N-methylcarbamate
CID 11433056
N-[3-[2-[(4-bromophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]-2-(2,4,6-trimethylphenyl)acetamide
CID 11467678
8-(3,3-diphenylpropyl)-2-[(4-nitrophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 11225450
8-[(3S)-3-amino-3-phenylpropyl]-3-[(4-bromophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;pyrrolidine-1-carboxylic acid
CID 172851417
8-(3,3-diphenylpropyl)-2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 11191923
N-[4-[[8-(3,3-diphenylpropyl)-1-oxo-2,8-diazaspiro[4.5]decan-2-yl]methyl]phenyl]acetamide
CID 11397835

Frequently Asked Questions

What is the IUPAC name of 8-(3-amino-3-phenylpropyl)-2-[(4-bromophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-(3-amino-3-phenylpropyl)-2-[(4-bromophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one (CID 59998812) is 8-(3-amino-3-phenylpropyl)-2-[(4-bromophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-(3-amino-3-phenylpropyl)-2-[(4-bromophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-(3-amino-3-phenylpropyl)-2-[(4-bromophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one is NC(CCN1CCC2(CC1)CCN(Cc1ccc(Br)cc1)C2=O)c1ccccc1.
What is the InChIKey of 8-(3-amino-3-phenylpropyl)-2-[(4-bromophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is NPIBBCFBCMJSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30BrN3O/c25-21-8-6-19(7-9-21)18-28-17-13-24(23(28)29)11-15-27(16-12-24)14-10-22(26)20-4-2-1-3-5-20/h1-9,22H,10-18,26H2.
What are the key properties of 8-(3-amino-3-phenylpropyl)-2-[(4-bromophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one?
8-(3-amino-3-phenylpropyl)-2-[(4-bromophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 456.43 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-amino-3-phenylpropyl)-2-[(4-bromophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 59998812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).