8-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

C27H32N4O3 — CID 58968079

IUPAC8-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCOc1cccc2c(C(C)=O)cn(CCCN3CCC4(CC3)C(=O)NCN4c3ccccc3)c12
InChIInChI=1S/C27H32N4O3/c1-20(32)23-18-30(25-22(23)10-6-11-24(25)34-2)15-7-14-29-16-12-27(13-17-29)26(33)28-19-31(27)21-8-4-3-5-9-21/h3-6,8-11,18H,7,12-17,19H2,1-2H3,(H,28,33)
InChIKeyZZFKTKGTYIYCTL-UHFFFAOYSA-N
MW460.58 g/mol
LogP3.67
Rot. Bonds7

About 8-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

8-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 58968079) has the molecular formula C27H32N4O3 and a molecular weight of 460.58 g/mol. Its IUPAC name is 8-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID58968079
Molecular FormulaC27H32N4O3
Molecular Weight460.58 g/mol
Exact Mass460.25
IUPAC Name8-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCOc1cccc2c(C(C)=O)cn(CCCN3CCC4(CC3)C(=O)NCN4c3ccccc3)c12
InChIInChI=1S/C27H32N4O3/c1-20(32)23-18-30(25-22(23)10-6-11-24(25)34-2)15-7-14-29-16-12-27(13-17-29)26(33)28-19-31(27)21-8-4-3-5-9-21/h3-6,8-11,18H,7,12-17,19H2,1-2H3,(H,28,33)
InChIKeyZZFKTKGTYIYCTL-UHFFFAOYSA-N
XLogP3.67
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one with MolForge

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Related Compounds

1-[1-[3-[4-(2-chlorophenoxy)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;oxalic acid
CID 161294384
1-[1-[3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone
CID 58968072
4-fluoro-2-methoxy-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide
CID 21428983
8-(3-chloropropyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 21453222
1-(2-methoxyphenyl)-8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]decan-4-one
CID 70968701
1-[1-[2-(dimethylamino)ethyl]-7-methoxyindol-3-yl]ethanone
CID 117098685
8-[3-(2-methoxyphenyl)prop-2-enyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 4997901
3-methoxy-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide
CID 21428878
8-[3-[2-(2,4-difluorophenyl)-1,3-dioxolan-2-yl]propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 10072817
1-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]-N,N-diethylpiperidine-3-carboxamide
CID 58968321
8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 23377559
5-fluoro-2-[4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butanoyl]benzenediazonium
CID 10321889

Frequently Asked Questions

What is the IUPAC name of 8-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 8-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (CID 58968079) is 8-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is COc1cccc2c(C(C)=O)cn(CCCN3CCC4(CC3)C(=O)NCN4c3ccccc3)c12.
What is the InChIKey of 8-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is ZZFKTKGTYIYCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O3/c1-20(32)23-18-30(25-22(23)10-6-11-24(25)34-2)15-7-14-29-16-12-27(13-17-29)26(33)28-19-31(27)21-8-4-3-5-9-21/h3-6,8-11,18H,7,12-17,19H2,1-2H3,(H,28,33).
What are the key properties of 8-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
8-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 460.58 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 58968079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).