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

C27H35N3O — CID 130201242

IUPAC1-(cyclobutylmethyl)-8-(dimethylamino)-3,8-diphenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccccc1)C(=O)N2CC1CCC1
InChIInChI=1S/C27H35N3O/c1-28(2)27(23-12-5-3-6-13-23)18-16-26(17-19-27)21-29(24-14-7-4-8-15-24)25(31)30(26)20-22-10-9-11-22/h3-8,12-15,22H,9-11,16-21H2,1-2H3
InChIKeyCSKUCUPFMABMFT-UHFFFAOYSA-N
MW417.60 g/mol
LogP5.50
Rot. Bonds5

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

1-(cyclobutylmethyl)-8-(dimethylamino)-3,8-diphenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130201242) has the molecular formula C27H35N3O and a molecular weight of 417.60 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-8-(dimethylamino)-3,8-diphenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-8-(dimethylamino)-3,8-diphenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130201242
Molecular FormulaC27H35N3O
Molecular Weight417.60 g/mol
Exact Mass417.28
IUPAC Name1-(cyclobutylmethyl)-8-(dimethylamino)-3,8-diphenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccccc1)C(=O)N2CC1CCC1
InChIInChI=1S/C27H35N3O/c1-28(2)27(23-12-5-3-6-13-23)18-16-26(17-19-27)21-29(24-14-7-4-8-15-24)25(31)30(26)20-22-10-9-11-22/h3-8,12-15,22H,9-11,16-21H2,1-2H3
InChIKeyCSKUCUPFMABMFT-UHFFFAOYSA-N
XLogP5.50
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.60
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-8-(dimethylamino)-3,8-diphenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-(cyclobutylmethyl)-8-(dimethylamino)-3,8-diphenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130201242) is 1-(cyclobutylmethyl)-8-(dimethylamino)-3,8-diphenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-(cyclobutylmethyl)-8-(dimethylamino)-3,8-diphenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-(cyclobutylmethyl)-8-(dimethylamino)-3,8-diphenyl-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccccc1)C(=O)N2CC1CCC1.
What is the InChIKey of 1-(cyclobutylmethyl)-8-(dimethylamino)-3,8-diphenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is CSKUCUPFMABMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O/c1-28(2)27(23-12-5-3-6-13-23)18-16-26(17-19-27)21-29(24-14-7-4-8-15-24)25(31)30(26)20-22-10-9-11-22/h3-8,12-15,22H,9-11,16-21H2,1-2H3.
What are the key properties of 1-(cyclobutylmethyl)-8-(dimethylamino)-3,8-diphenyl-1,3-diazaspiro[4.5]decan-2-one?
1-(cyclobutylmethyl)-8-(dimethylamino)-3,8-diphenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 417.60 g/mol, XLogP of 5.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-8-(dimethylamino)-3,8-diphenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130201242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).