4-bromo-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propyl]benzamide

C23H27BrN4O2 — CID 118722103

IUPAC4-bromo-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propyl]benzamide
SMILESCC(CNC(=O)c1ccc(Br)cc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1
InChIInChI=1S/C23H27BrN4O2/c1-17(15-25-21(29)18-7-9-19(24)10-8-18)27-13-11-23(12-14-27)22(30)26-16-28(23)20-5-3-2-4-6-20/h2-10,17H,11-16H2,1H3,(H,25,29)(H,26,30)
InChIKeyWMCLVUMAAQCPPR-UHFFFAOYSA-N
MW471.40 g/mol
LogP3.00
Rot. Bonds5

About 4-bromo-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propyl]benzamide

4-bromo-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propyl]benzamide (PubChem CID 118722103) has the molecular formula C23H27BrN4O2 and a molecular weight of 471.40 g/mol. Its IUPAC name is 4-bromo-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propyl]benzamide
PubChem CID118722103
Molecular FormulaC23H27BrN4O2
Molecular Weight471.40 g/mol
Exact Mass470.13
IUPAC Name4-bromo-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propyl]benzamide
SMILESCC(CNC(=O)c1ccc(Br)cc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1
InChIInChI=1S/C23H27BrN4O2/c1-17(15-25-21(29)18-7-9-19(24)10-8-18)27-13-11-23(12-14-27)22(30)26-16-28(23)20-5-3-2-4-6-20/h2-10,17H,11-16H2,1H3,(H,25,29)(H,26,30)
InChIKeyWMCLVUMAAQCPPR-UHFFFAOYSA-N
XLogP3.00
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.40
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-bromo-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propyl]benzamide with MolForge

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Related Compounds

Spiperone
CID 5265
N-(4-(4-(3-aminocarbonyl-phenyl)-piperazin-1-yl)-butyl)-4-bromo-benzamide
CID 16066765
Fluspiperone
CID 166535
Spiperone hydrochloride
CID 11957687
3,4-Difluoro-N-{2-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-YL]ethyl}benzamide
CID 53393916
(S)-4-bromo-N-(1-(1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)propan-2-yl)benzamide
CID 56593054
2-(4-Bromophenyl)-3-(2-diethylaminoethyl)-1,2-dihydroquinazolin-4-one
CID 2888798
N-(2-(4-Oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl)-4-(trifluoromethyl)benzamide
CID 25105714
N-(3-bromophenyl)-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 3905761
2-(4-Bromophenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 2887932
4-bromo-N-(5-{2-[(2-fluorophenyl)amino]-2-oxoethyl}-3-methyl-4-oxo-2-thioxoimidazolidin-1-yl)benzamide
CID 3985294
4-fluoro-N-[2-[1-(4-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]benzamide
CID 21428808

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propyl]benzamide?
The IUPAC name of 4-bromo-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propyl]benzamide (CID 118722103) is 4-bromo-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propyl]benzamide.
What is the SMILES notation for 4-bromo-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propyl]benzamide?
The canonical SMILES for 4-bromo-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propyl]benzamide is CC(CNC(=O)c1ccc(Br)cc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1.
What is the InChIKey of 4-bromo-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propyl]benzamide?
The InChIKey is WMCLVUMAAQCPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27BrN4O2/c1-17(15-25-21(29)18-7-9-19(24)10-8-18)27-13-11-23(12-14-27)22(30)26-16-28(23)20-5-3-2-4-6-20/h2-10,17H,11-16H2,1H3,(H,25,29)(H,26,30).
What are the key properties of 4-bromo-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propyl]benzamide?
4-bromo-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propyl]benzamide has a molecular weight of 471.40 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propyl]benzamide is sourced from PubChem (CID 118722103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).