8-[(4-acetylphenyl)methyl]-4-benzyl-1,4,8-triazaspiro[4.5]decan-2-one

C23H27N3O2 — CID 58245510

IUPAC8-[(4-acetylphenyl)methyl]-4-benzyl-1,4,8-triazaspiro[4.5]decan-2-one
SMILESCC(=O)c1ccc(CN2CCC3(CC2)NC(=O)CN3Cc2ccccc2)cc1
InChIInChI=1S/C23H27N3O2/c1-18(27)21-9-7-20(8-10-21)15-25-13-11-23(12-14-25)24-22(28)17-26(23)16-19-5-3-2-4-6-19/h2-10H,11-17H2,1H3,(H,24,28)
InChIKeyZOUYIJNLQLPVIO-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.81
Rot. Bonds5

About 8-[(4-acetylphenyl)methyl]-4-benzyl-1,4,8-triazaspiro[4.5]decan-2-one

8-[(4-acetylphenyl)methyl]-4-benzyl-1,4,8-triazaspiro[4.5]decan-2-one (PubChem CID 58245510) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 8-[(4-acetylphenyl)methyl]-4-benzyl-1,4,8-triazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[(4-acetylphenyl)methyl]-4-benzyl-1,4,8-triazaspiro[4.5]decan-2-one
PubChem CID58245510
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name8-[(4-acetylphenyl)methyl]-4-benzyl-1,4,8-triazaspiro[4.5]decan-2-one
SMILESCC(=O)c1ccc(CN2CCC3(CC2)NC(=O)CN3Cc2ccccc2)cc1
InChIInChI=1S/C23H27N3O2/c1-18(27)21-9-7-20(8-10-21)15-25-13-11-23(12-14-25)24-22(28)17-26(23)16-19-5-3-2-4-6-19/h2-10H,11-17H2,1H3,(H,24,28)
InChIKeyZOUYIJNLQLPVIO-UHFFFAOYSA-N
XLogP2.81
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-[(4-acetylphenyl)methyl]-4-benzyl-1,4,8-triazaspiro[4.5]decan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-[(4-acetylphenyl)methyl]-1-oxa-4,8-diazaspiro[4.5]decan-3-one
CID 58245171
4-(4-acetylphenyl)sulfonyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-(cyclopropylmethyl)-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-3-one;4-benzyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one
CID 158024649
8-(4-acetylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one;4-benzyl-8-(3,5-dichloro-2-hydroxyphenyl)sulfonyl-1,4,8-triazaspiro[4.5]decan-2-one
CID 158183769
4-benzyl-8-(3,5-dichloro-2-hydroxyphenyl)sulfonyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-(3,5-dichloro-4-hydroxyphenyl)sulfonyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-(4-prop-1-en-2-ylphenyl)sulfonyl-1,4,8-triazaspiro[4.5]decan-2-one
CID 158319447
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
8-[(4-acetylphenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72916923
ethane;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone
CID 142962243
4-benzyl-8-cyclohexyl-1,4,8-triazaspiro[4.5]decan-2-one;4-benzyl-8-(cyclopropylmethyl)-1,4,8-triazaspiro[4.5]decan-3-one
CID 160866971
4-amino-1-benzylpiperidine-4-carbohydrazide
CID 21495768
2-(8-benzyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetic acid
CID 42065010
1-[4-[[1-[(4-methylphenyl)methyl]piperidin-4-ylidene]-phenylmethyl]phenyl]ethanone
CID 23383814
(1-benzyl-4-methylpiperidin-4-yl)methylcarbamic acid
CID 71268606

Frequently Asked Questions

What is the IUPAC name of 8-[(4-acetylphenyl)methyl]-4-benzyl-1,4,8-triazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[(4-acetylphenyl)methyl]-4-benzyl-1,4,8-triazaspiro[4.5]decan-2-one (CID 58245510) is 8-[(4-acetylphenyl)methyl]-4-benzyl-1,4,8-triazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[(4-acetylphenyl)methyl]-4-benzyl-1,4,8-triazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[(4-acetylphenyl)methyl]-4-benzyl-1,4,8-triazaspiro[4.5]decan-2-one is CC(=O)c1ccc(CN2CCC3(CC2)NC(=O)CN3Cc2ccccc2)cc1.
What is the InChIKey of 8-[(4-acetylphenyl)methyl]-4-benzyl-1,4,8-triazaspiro[4.5]decan-2-one?
The InChIKey is ZOUYIJNLQLPVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-18(27)21-9-7-20(8-10-21)15-25-13-11-23(12-14-25)24-22(28)17-26(23)16-19-5-3-2-4-6-19/h2-10H,11-17H2,1H3,(H,24,28).
What are the key properties of 8-[(4-acetylphenyl)methyl]-4-benzyl-1,4,8-triazaspiro[4.5]decan-2-one?
8-[(4-acetylphenyl)methyl]-4-benzyl-1,4,8-triazaspiro[4.5]decan-2-one has a molecular weight of 377.49 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-acetylphenyl)methyl]-4-benzyl-1,4,8-triazaspiro[4.5]decan-2-one is sourced from PubChem (CID 58245510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).