3-benzyl-1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

C28H37N3O — CID 130200555

IUPAC3-benzyl-1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(Cc1ccccc1)C(=O)N2CC1CCC1
InChIInChI=1S/C28H37N3O/c1-29(2)28(25-14-7-4-8-15-25)18-16-27(17-19-28)22-30(20-23-10-5-3-6-11-23)26(32)31(27)21-24-12-9-13-24/h3-8,10-11,14-15,24H,9,12-13,16-22H2,1-2H3
InChIKeyROOGJRTXASWVHE-UHFFFAOYSA-N
MW431.62 g/mol
LogP5.49
Rot. Bonds6

About 3-benzyl-1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

3-benzyl-1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130200555) has the molecular formula C28H37N3O and a molecular weight of 431.62 g/mol. Its IUPAC name is 3-benzyl-1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-benzyl-1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130200555
Molecular FormulaC28H37N3O
Molecular Weight431.62 g/mol
Exact Mass431.29
IUPAC Name3-benzyl-1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(Cc1ccccc1)C(=O)N2CC1CCC1
InChIInChI=1S/C28H37N3O/c1-29(2)28(25-14-7-4-8-15-25)18-16-27(17-19-28)22-30(20-23-10-5-3-6-11-23)26(32)31(27)21-24-12-9-13-24/h3-8,10-11,14-15,24H,9,12-13,16-22H2,1-2H3
InChIKeyROOGJRTXASWVHE-UHFFFAOYSA-N
XLogP5.49
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.62
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-[1-Methyl-1-(2-phenylethyl)pyrrolidin-1-ium-3-yl]-4,4-diphenylimidazolidin-2-one bromide
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1-(1-Benzyl-piperidin-4-yl)-3-methyl-4,4-diphenyl-imidazolidin-2-one
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1-Benzyl-1-methyl-3-(2-oxo-4,4-diphenyl-imidazolidin-1-yl)-pyrrolidinium
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3-(1-(3-Methylbenzyl)-piperidin-4-yl)-5-phenyl-5-cyclohexyl-imidazolidin-2-one
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US10807989, Example SC_1349
CID 130200783
1,1-Dimethyl-4-(2-oxo-4,4-diphenyl-imidazolidin-1-yl)-piperidinium
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3-(1-Methyl-piperidin-4-yl)-5,5-diphenyl-imidazolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-benzyl-1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130200555) is 3-benzyl-1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-benzyl-1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-benzyl-1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccccc2)CCC2(CC1)CN(Cc1ccccc1)C(=O)N2CC1CCC1.
What is the InChIKey of 3-benzyl-1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is ROOGJRTXASWVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O/c1-29(2)28(25-14-7-4-8-15-25)18-16-27(17-19-28)22-30(20-23-10-5-3-6-11-23)26(32)31(27)21-24-12-9-13-24/h3-8,10-11,14-15,24H,9,12-13,16-22H2,1-2H3.
What are the key properties of 3-benzyl-1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
3-benzyl-1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 431.62 g/mol, XLogP of 5.49, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130200555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).