8-[(3S)-3-amino-3-phenylpropyl]-3-[(4-bromophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

C23H27BrN4O2 — CID 11213585

IUPAC8-[(3S)-3-amino-3-phenylpropyl]-3-[(4-bromophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESN[C@@H](CCN1CCC2(CC1)NC(=O)N(Cc1ccc(Br)cc1)C2=O)c1ccccc1
InChIInChI=1S/C23H27BrN4O2/c24-19-8-6-17(7-9-19)16-28-21(29)23(26-22(28)30)11-14-27(15-12-23)13-10-20(25)18-4-2-1-3-5-18/h1-9,20H,10-16,25H2,(H,26,30)/t20-/m0/s1
InChIKeyAKFCXHYRHUGYOR-FQEVSTJZSA-N
MW471.40 g/mol
LogP3.43
Rot. Bonds6

About 8-[(3S)-3-amino-3-phenylpropyl]-3-[(4-bromophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-[(3S)-3-amino-3-phenylpropyl]-3-[(4-bromophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 11213585) has the molecular formula C23H27BrN4O2 and a molecular weight of 471.40 g/mol. Its IUPAC name is 8-[(3S)-3-amino-3-phenylpropyl]-3-[(4-bromophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-[(3S)-3-amino-3-phenylpropyl]-3-[(4-bromophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID11213585
Molecular FormulaC23H27BrN4O2
Molecular Weight471.40 g/mol
Exact Mass470.13
IUPAC Name8-[(3S)-3-amino-3-phenylpropyl]-3-[(4-bromophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESN[C@@H](CCN1CCC2(CC1)NC(=O)N(Cc1ccc(Br)cc1)C2=O)c1ccccc1
InChIInChI=1S/C23H27BrN4O2/c24-19-8-6-17(7-9-19)16-28-21(29)23(26-22(28)30)11-14-27(15-12-23)13-10-20(25)18-4-2-1-3-5-18/h1-9,20H,10-16,25H2,(H,26,30)/t20-/m0/s1
InChIKeyAKFCXHYRHUGYOR-FQEVSTJZSA-N
XLogP3.43
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.40
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

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
4-[[8-[(3S)-3-amino-3-phenylpropyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]methyl]benzonitrile
CID 69206463
8-[(3S)-3-amino-3-phenylpropyl]-3-[[4-(trifluoromethoxy)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 69208685
N-[(1S)-3-[3-[(4-bromophenyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-1-phenylpropyl]benzamide
CID 11433114
8-(3-amino-3-phenylpropyl)-2-[(4-bromophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 59998812
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
N-[(1S)-3-[3-[(4-bromophenyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-1-phenylpropyl]cyclobutanecarboxamide
CID 11353407
cyclopentyl N-[(1S)-3-[3-[(4-bromophenyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-1-phenylpropyl]carbamate;hydrochloride
CID 69208634
N-[(1S)-3-[3-[(4-bromophenyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-1-phenylpropyl]cyclohexanecarboxamide;cyclopentanecarboxylic acid
CID 163415922
N-[(1S)-3-[3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide;hydrochloride
CID 69208800
3-[(4-aminophenyl)methyl]-8-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 94755094
1-(4-bromophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-amine
CID 62932000

Frequently Asked Questions

What is the IUPAC name of 8-[(3S)-3-amino-3-phenylpropyl]-3-[(4-bromophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-[(3S)-3-amino-3-phenylpropyl]-3-[(4-bromophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 11213585) is 8-[(3S)-3-amino-3-phenylpropyl]-3-[(4-bromophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-[(3S)-3-amino-3-phenylpropyl]-3-[(4-bromophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-[(3S)-3-amino-3-phenylpropyl]-3-[(4-bromophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is N[C@@H](CCN1CCC2(CC1)NC(=O)N(Cc1ccc(Br)cc1)C2=O)c1ccccc1.
What is the InChIKey of 8-[(3S)-3-amino-3-phenylpropyl]-3-[(4-bromophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is AKFCXHYRHUGYOR-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H27BrN4O2/c24-19-8-6-17(7-9-19)16-28-21(29)23(26-22(28)30)11-14-27(15-12-23)13-10-20(25)18-4-2-1-3-5-18/h1-9,20H,10-16,25H2,(H,26,30)/t20-/m0/s1.
What are the key properties of 8-[(3S)-3-amino-3-phenylpropyl]-3-[(4-bromophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-[(3S)-3-amino-3-phenylpropyl]-3-[(4-bromophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 471.40 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3S)-3-amino-3-phenylpropyl]-3-[(4-bromophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 11213585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).