9-benzyl-4-phenyl-1,9-diazaspiro[5.5]undec-4-en-2-one

C22H24N2O — CID 164682604

IUPAC9-benzyl-4-phenyl-1,9-diazaspiro[5.5]undec-4-en-2-one
SMILESO=C1CC(c2ccccc2)=CC2(CCN(Cc3ccccc3)CC2)N1
InChIInChI=1S/C22H24N2O/c25-21-15-20(19-9-5-2-6-10-19)16-22(23-21)11-13-24(14-12-22)17-18-7-3-1-4-8-18/h1-10,16H,11-15,17H2,(H,23,25)
InChIKeyLOUBPPRPQZSORO-UHFFFAOYSA-N
MW332.45 g/mol
LogP3.62
Rot. Bonds3

About 9-benzyl-4-phenyl-1,9-diazaspiro[5.5]undec-4-en-2-one

9-benzyl-4-phenyl-1,9-diazaspiro[5.5]undec-4-en-2-one (PubChem CID 164682604) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 9-benzyl-4-phenyl-1,9-diazaspiro[5.5]undec-4-en-2-one.

Molecular Properties

Compound Name9-benzyl-4-phenyl-1,9-diazaspiro[5.5]undec-4-en-2-one
PubChem CID164682604
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name9-benzyl-4-phenyl-1,9-diazaspiro[5.5]undec-4-en-2-one
SMILESO=C1CC(c2ccccc2)=CC2(CCN(Cc3ccccc3)CC2)N1
InChIInChI=1S/C22H24N2O/c25-21-15-20(19-9-5-2-6-10-19)16-22(23-21)11-13-24(14-12-22)17-18-7-3-1-4-8-18/h1-10,16H,11-15,17H2,(H,23,25)
InChIKeyLOUBPPRPQZSORO-UHFFFAOYSA-N
XLogP3.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-acetyl-4-phenyl-1,9-diazaspiro[5.5]undec-4-en-2-one
CID 164682381
7-benzyl-1,7-diazaspiro[4.4]nonan-2-one
CID 83823846
(5S)-7-benzyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 28881549
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
8-benzyl-2-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one
CID 130677273
2-(8-benzyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetic acid
CID 42065010
7-benzyl-2,7-diazaspiro[3.5]nonane;dihydrochloride
CID 67386428
9-benzyl-2,9-diazaspiro[5.5]undecan-1-one
CID 118960394
8-[(4-fluorophenyl)methyl]-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-en-2-one
CID 53029544
1'-benzyl-5-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 136577906
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
1'-benzyl-5-chlorospiro[1H-indole-3,4'-piperidine]-2-one
CID 86180111

Frequently Asked Questions

What is the IUPAC name of 9-benzyl-4-phenyl-1,9-diazaspiro[5.5]undec-4-en-2-one?
The IUPAC name of 9-benzyl-4-phenyl-1,9-diazaspiro[5.5]undec-4-en-2-one (CID 164682604) is 9-benzyl-4-phenyl-1,9-diazaspiro[5.5]undec-4-en-2-one.
What is the SMILES notation for 9-benzyl-4-phenyl-1,9-diazaspiro[5.5]undec-4-en-2-one?
The canonical SMILES for 9-benzyl-4-phenyl-1,9-diazaspiro[5.5]undec-4-en-2-one is O=C1CC(c2ccccc2)=CC2(CCN(Cc3ccccc3)CC2)N1.
What is the InChIKey of 9-benzyl-4-phenyl-1,9-diazaspiro[5.5]undec-4-en-2-one?
The InChIKey is LOUBPPRPQZSORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c25-21-15-20(19-9-5-2-6-10-19)16-22(23-21)11-13-24(14-12-22)17-18-7-3-1-4-8-18/h1-10,16H,11-15,17H2,(H,23,25).
What are the key properties of 9-benzyl-4-phenyl-1,9-diazaspiro[5.5]undec-4-en-2-one?
9-benzyl-4-phenyl-1,9-diazaspiro[5.5]undec-4-en-2-one has a molecular weight of 332.45 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-4-phenyl-1,9-diazaspiro[5.5]undec-4-en-2-one is sourced from PubChem (CID 164682604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).