2-benzyl-8-[2-(4-methoxyphenyl)acetyl]-4-methyl-1,4,8-triazaspiro[4.5]decan-3-one

C24H29N3O3 — CID 67164883

IUPAC2-benzyl-8-[2-(4-methoxyphenyl)acetyl]-4-methyl-1,4,8-triazaspiro[4.5]decan-3-one
SMILESCOc1ccc(CC(=O)N2CCC3(CC2)NC(Cc2ccccc2)C(=O)N3C)cc1
InChIInChI=1S/C24H29N3O3/c1-26-23(29)21(16-18-6-4-3-5-7-18)25-24(26)12-14-27(15-13-24)22(28)17-19-8-10-20(30-2)11-9-19/h3-11,21,25H,12-17H2,1-2H3
InChIKeyCIGVUIJZUALNHZ-UHFFFAOYSA-N
MW407.51 g/mol
LogP2.23
Rot. Bonds5

About 2-benzyl-8-[2-(4-methoxyphenyl)acetyl]-4-methyl-1,4,8-triazaspiro[4.5]decan-3-one

2-benzyl-8-[2-(4-methoxyphenyl)acetyl]-4-methyl-1,4,8-triazaspiro[4.5]decan-3-one (PubChem CID 67164883) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 2-benzyl-8-[2-(4-methoxyphenyl)acetyl]-4-methyl-1,4,8-triazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-benzyl-8-[2-(4-methoxyphenyl)acetyl]-4-methyl-1,4,8-triazaspiro[4.5]decan-3-one
PubChem CID67164883
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name2-benzyl-8-[2-(4-methoxyphenyl)acetyl]-4-methyl-1,4,8-triazaspiro[4.5]decan-3-one
SMILESCOc1ccc(CC(=O)N2CCC3(CC2)NC(Cc2ccccc2)C(=O)N3C)cc1
InChIInChI=1S/C24H29N3O3/c1-26-23(29)21(16-18-6-4-3-5-7-18)25-24(26)12-14-27(15-13-24)22(28)17-19-8-10-20(30-2)11-9-19/h3-11,21,25H,12-17H2,1-2H3
InChIKeyCIGVUIJZUALNHZ-UHFFFAOYSA-N
XLogP2.23
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-benzyl-8-[2-(4-methoxyphenyl)acetyl]-4-methyl-1,4,8-triazaspiro[4.5]decan-3-one with MolForge

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Related Compounds

2-benzyl-4-methyl-8-pent-4-enoyl-1,4,8-triazaspiro[4.5]decan-3-one
CID 11717107
(2R)-2-benzyl-4-cyclopropyl-8-(4-methoxybenzoyl)-1,4,8-triazaspiro[4.5]decan-3-one
CID 93145714
2-benzyl-8-(2-ethylbutanoyl)-4-[(4-methoxyphenyl)methyl]-1,4,8-triazaspiro[4.5]decan-3-one
CID 11634056
(2S)-2-benzyl-8-(2-ethylbutanoyl)-4-[(4-methoxyphenyl)methyl]-1,4,8-triazaspiro[4.5]decan-3-one;hydrochloride
CID 67165911
ethyl 3-[(2-benzyl-4-methyl-3-oxo-1,4,8-triazaspiro[4.5]decane-8-carbothioyl)amino]butanoate
CID 11553795
anisole;2-benzyl-4-[(2-fluorophenyl)methyl]-3-oxo-1,4,8-triazaspiro[4.5]decane-8-carbothioic S-acid
CID 162164527
2-(4-methoxyphenyl)-N-[1-(2-phenylacetyl)piperidin-4-yl]acetamide
CID 108549864
(2S)-2,4-dibenzyl-8-(3-methoxybenzoyl)-1,4,8-triazaspiro[4.5]decan-3-one;(2S)-2,4-dibenzyl-1,4,8-triazaspiro[4.5]decan-3-one
CID 161391128
(2-benzyl-4-methyl-3-oxo-1,4,8-triazaspiro[4.5]decan-8-yl)sulfanyl N-[(4-chlorophenyl)methyl]carbamate
CID 87613174
methyl 4-[2-benzyl-4-[(2-fluorophenyl)methyl]-3-oxo-1,4,8-triazaspiro[4.5]decan-8-yl]-4-oxobutanoate
CID 67165687
1-[(3S,4R)-3,4-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(4-methoxyphenyl)ethanone
CID 163310112
8-[2-(4-methoxyphenyl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 110668791

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-8-[2-(4-methoxyphenyl)acetyl]-4-methyl-1,4,8-triazaspiro[4.5]decan-3-one?
The IUPAC name of 2-benzyl-8-[2-(4-methoxyphenyl)acetyl]-4-methyl-1,4,8-triazaspiro[4.5]decan-3-one (CID 67164883) is 2-benzyl-8-[2-(4-methoxyphenyl)acetyl]-4-methyl-1,4,8-triazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-benzyl-8-[2-(4-methoxyphenyl)acetyl]-4-methyl-1,4,8-triazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-benzyl-8-[2-(4-methoxyphenyl)acetyl]-4-methyl-1,4,8-triazaspiro[4.5]decan-3-one is COc1ccc(CC(=O)N2CCC3(CC2)NC(Cc2ccccc2)C(=O)N3C)cc1.
What is the InChIKey of 2-benzyl-8-[2-(4-methoxyphenyl)acetyl]-4-methyl-1,4,8-triazaspiro[4.5]decan-3-one?
The InChIKey is CIGVUIJZUALNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-26-23(29)21(16-18-6-4-3-5-7-18)25-24(26)12-14-27(15-13-24)22(28)17-19-8-10-20(30-2)11-9-19/h3-11,21,25H,12-17H2,1-2H3.
What are the key properties of 2-benzyl-8-[2-(4-methoxyphenyl)acetyl]-4-methyl-1,4,8-triazaspiro[4.5]decan-3-one?
2-benzyl-8-[2-(4-methoxyphenyl)acetyl]-4-methyl-1,4,8-triazaspiro[4.5]decan-3-one has a molecular weight of 407.51 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-8-[2-(4-methoxyphenyl)acetyl]-4-methyl-1,4,8-triazaspiro[4.5]decan-3-one is sourced from PubChem (CID 67164883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).