8-[(5-acetyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

C24H27N3O3 — CID 154138301

IUPAC8-[(5-acetyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCC(=O)c1ccc2c(c1)CC(CN1CCC3(CC1)C(=O)NCN3c1ccccc1)O2
InChIInChI=1S/C24H27N3O3/c1-17(28)18-7-8-22-19(13-18)14-21(30-22)15-26-11-9-24(10-12-26)23(29)25-16-27(24)20-5-3-2-4-6-20/h2-8,13,21H,9-12,14-16H2,1H3,(H,25,29)
InChIKeyOLLOIEXXQFFCLK-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.62
Rot. Bonds4

About 8-[(5-acetyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

8-[(5-acetyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 154138301) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 8-[(5-acetyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-[(5-acetyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID154138301
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name8-[(5-acetyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCC(=O)c1ccc2c(c1)CC(CN1CCC3(CC1)C(=O)NCN3c1ccccc1)O2
InChIInChI=1S/C24H27N3O3/c1-17(28)18-7-8-22-19(13-18)14-21(30-22)15-26-11-9-24(10-12-26)23(29)25-16-27(24)20-5-3-2-4-6-20/h2-8,13,21H,9-12,14-16H2,1H3,(H,25,29)
InChIKeyOLLOIEXXQFFCLK-UHFFFAOYSA-N
XLogP2.62
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-[(7-fluoro-4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 19748858
N-(3-acetylphenyl)-2-[4-[4-[4-(hydroxymethyl)phenyl]-6-[(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)methyl]-1,3-dioxan-2-yl]phenyl]acetamide
CID 5101176
8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 23377559
[5-[(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)methyl]furan-2-yl]methyl acetate
CID 3763751
8-(2,3-dihydrofuro[2,3-c]pyridin-3-ylmethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 10808772
8-[(2R)-4-(4-fluoro-3-methylphenyl)-2-methyl-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 161166961
N-[[4-[(2S,4R,6S)-4-[4-(hydroxymethyl)phenyl]-6-[(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)methyl]-1,3-dioxan-2-yl]phenyl]methyl]acetamide
CID 6698103
1-phenyl-8-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,3,8-triazaspiro[4.5]decan-4-one
CID 10156328
[(2S)-1-[3-[(2S,4R,6S)-4-[4-(hydroxymethyl)phenyl]-6-[(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)methyl]-1,3-dioxan-2-yl]anilino]-1-oxopropan-2-yl] acetate
CID 6698074
[1-[[4-[4-[4-(hydroxymethyl)phenyl]-6-[(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)methyl]-1,3-dioxan-2-yl]phenyl]methylamino]-1-oxopropan-2-yl] acetate
CID 4231590
8-[(2R)-2-methyl-4-(3-methylphenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 157224252
8-(naphthalene-2-carbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 10156925

Frequently Asked Questions

What is the IUPAC name of 8-[(5-acetyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 8-[(5-acetyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (CID 154138301) is 8-[(5-acetyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-[(5-acetyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-[(5-acetyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is CC(=O)c1ccc2c(c1)CC(CN1CCC3(CC1)C(=O)NCN3c1ccccc1)O2.
What is the InChIKey of 8-[(5-acetyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is OLLOIEXXQFFCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-17(28)18-7-8-22-19(13-18)14-21(30-22)15-26-11-9-24(10-12-26)23(29)25-16-27(24)20-5-3-2-4-6-20/h2-8,13,21H,9-12,14-16H2,1H3,(H,25,29).
What are the key properties of 8-[(5-acetyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
8-[(5-acetyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 405.50 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(5-acetyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 154138301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).