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

C23H28N2O2 — CID 97372701

IUPAC1-benzyl-8-[(4-methoxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one
SMILESCOc1ccc(CN2CCC3(CCC(=O)N3Cc3ccccc3)CC2)cc1
InChIInChI=1S/C23H28N2O2/c1-27-21-9-7-20(8-10-21)17-24-15-13-23(14-16-24)12-11-22(26)25(23)18-19-5-3-2-4-6-19/h2-10H,11-18H2,1H3
InChIKeyGCWIGWPEYHWWON-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.85
Rot. Bonds5

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

1-benzyl-8-[(4-methoxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97372701) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-benzyl-8-[(4-methoxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-benzyl-8-[(4-methoxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97372701
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name1-benzyl-8-[(4-methoxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one
SMILESCOc1ccc(CN2CCC3(CCC(=O)N3Cc3ccccc3)CC2)cc1
InChIInChI=1S/C23H28N2O2/c1-27-21-9-7-20(8-10-21)17-24-15-13-23(14-16-24)12-11-22(26)25(23)18-19-5-3-2-4-6-19/h2-10H,11-18H2,1H3
InChIKeyGCWIGWPEYHWWON-UHFFFAOYSA-N
XLogP3.85
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[(4-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 131681147
1-(cyclohexylmethyl)-9-[(4-methoxyphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 131681505
9-[(4-methoxyphenyl)methyl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131681380
1-benzyl-8-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493904
(5S)-1-benzyl-9-methyl-1,9-diazaspiro[4.6]undecan-2-one
CID 97393950
8-(1-fluorocyclobutanecarbonyl)-1-[(4-methoxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one
CID 131685000
1-benzyl-8-(2,6-dimethoxypyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 42472580
1-[(4-methoxyphenyl)methyl]-8-(1H-pyrrole-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131684831
1-benzyl-9-(cyclopropylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131681152
1-[(2-fluorophenyl)methyl]-8-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one
CID 42378887
1-benzyl-8-(2-hydroxyethyl)-1,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 155862188
(3R)-1-(2-methoxyethyl)-8-[(4-methoxyphenyl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97383981

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-8-[(4-methoxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-benzyl-8-[(4-methoxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one (CID 97372701) is 1-benzyl-8-[(4-methoxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-benzyl-8-[(4-methoxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-benzyl-8-[(4-methoxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one is COc1ccc(CN2CCC3(CCC(=O)N3Cc3ccccc3)CC2)cc1.
What is the InChIKey of 1-benzyl-8-[(4-methoxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is GCWIGWPEYHWWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-27-21-9-7-20(8-10-21)17-24-15-13-23(14-16-24)12-11-22(26)25(23)18-19-5-3-2-4-6-19/h2-10H,11-18H2,1H3.
What are the key properties of 1-benzyl-8-[(4-methoxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one?
1-benzyl-8-[(4-methoxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 364.49 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-8-[(4-methoxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97372701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).