4-[[10-oxo-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-1-yl]methyl]benzonitrile

C24H27N3O — CID 162626493

IUPAC4-[[10-oxo-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-1-yl]methyl]benzonitrile
SMILESN#Cc1ccc(CN2CCCC23CCCN(CCc2ccccc2)C3=O)cc1
InChIInChI=1S/C24H27N3O/c25-18-21-8-10-22(11-9-21)19-27-16-5-14-24(27)13-4-15-26(23(24)28)17-12-20-6-2-1-3-7-20/h1-3,6-11H,4-5,12-17,19H2
InChIKeyIOIOJEFVFRFKOK-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.76
Rot. Bonds5

About 4-[[10-oxo-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-1-yl]methyl]benzonitrile

4-[[10-oxo-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-1-yl]methyl]benzonitrile (PubChem CID 162626493) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is 4-[[10-oxo-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[10-oxo-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-1-yl]methyl]benzonitrile
PubChem CID162626493
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name4-[[10-oxo-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-1-yl]methyl]benzonitrile
SMILESN#Cc1ccc(CN2CCCC23CCCN(CCc2ccccc2)C3=O)cc1
InChIInChI=1S/C24H27N3O/c25-18-21-8-10-22(11-9-21)19-27-16-5-14-24(27)13-4-15-26(23(24)28)17-12-20-6-2-1-3-7-20/h1-3,6-11H,4-5,12-17,19H2
InChIKeyIOIOJEFVFRFKOK-UHFFFAOYSA-N
XLogP3.76
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[[10-oxo-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-1-yl]methyl]benzonitrile with MolForge

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Related Compounds

9-benzyl-1-[(4-chlorophenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 163317012
1-[(2-chloro-3-hydroxyphenyl)methyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162634689
1-[(4-chloro-2-fluorophenyl)methyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162625681
2-[4-[(9-benzyl-10-oxo-1,9-diazaspiro[4.5]decan-1-yl)methyl]phenyl]acetic acid
CID 163311970
9-(2-methoxyethyl)-1-(3-phenylpropyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162627579
1-benzyl-1-azaspiro[4.4]nonan-9-one
CID 138106111
(6R)-1-benzyl-1-azaspiro[5.5]undecan-11-one
CID 14866444
9-propyl-1-[(4-pyrazol-1-ylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162634042
1-[(2-amino-3-pyridinyl)methyl]-9-benzyl-1,9-diazaspiro[4.5]decan-10-one
CID 162628202
4-[(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)methyl]benzonitrile
CID 2398166
(5S)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 95711606
4-[[1-[(4-cyanophenyl)methyl]-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]benzonitrile
CID 157352514

Frequently Asked Questions

What is the IUPAC name of 4-[[10-oxo-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-1-yl]methyl]benzonitrile?
The IUPAC name of 4-[[10-oxo-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-1-yl]methyl]benzonitrile (CID 162626493) is 4-[[10-oxo-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-1-yl]methyl]benzonitrile.
What is the SMILES notation for 4-[[10-oxo-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-1-yl]methyl]benzonitrile?
The canonical SMILES for 4-[[10-oxo-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-1-yl]methyl]benzonitrile is N#Cc1ccc(CN2CCCC23CCCN(CCc2ccccc2)C3=O)cc1.
What is the InChIKey of 4-[[10-oxo-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-1-yl]methyl]benzonitrile?
The InChIKey is IOIOJEFVFRFKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c25-18-21-8-10-22(11-9-21)19-27-16-5-14-24(27)13-4-15-26(23(24)28)17-12-20-6-2-1-3-7-20/h1-3,6-11H,4-5,12-17,19H2.
What are the key properties of 4-[[10-oxo-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-1-yl]methyl]benzonitrile?
4-[[10-oxo-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-1-yl]methyl]benzonitrile has a molecular weight of 373.50 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[10-oxo-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-1-yl]methyl]benzonitrile is sourced from PubChem (CID 162626493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).