1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one

C27H33F3N4O — CID 130201396

IUPAC1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C(F)(F)F)nc1)C(=O)N2CC1CCC1
InChIInChI=1S/C27H33F3N4O/c1-32(2)26(21-9-4-3-5-10-21)15-13-25(14-16-26)19-33(24(35)34(25)18-20-7-6-8-20)22-11-12-23(31-17-22)27(28,29)30/h3-5,9-12,17,20H,6-8,13-16,18-19H2,1-2H3
InChIKeyHOEYHTAWVIRWLK-UHFFFAOYSA-N
MW486.58 g/mol
LogP5.91
Rot. Bonds5

About 1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one

1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130201396) has the molecular formula C27H33F3N4O and a molecular weight of 486.58 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130201396
Molecular FormulaC27H33F3N4O
Molecular Weight486.58 g/mol
Exact Mass486.26
IUPAC Name1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C(F)(F)F)nc1)C(=O)N2CC1CCC1
InChIInChI=1S/C27H33F3N4O/c1-32(2)26(21-9-4-3-5-10-21)15-13-25(14-16-26)19-33(24(35)34(25)18-20-7-6-8-20)22-11-12-23(31-17-22)27(28,29)30/h3-5,9-12,17,20H,6-8,13-16,18-19H2,1-2H3
InChIKeyHOEYHTAWVIRWLK-UHFFFAOYSA-N
XLogP5.91
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.58
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one (CID 130201396) is 1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C(F)(F)F)nc1)C(=O)N2CC1CCC1.
What is the InChIKey of 1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is HOEYHTAWVIRWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33F3N4O/c1-32(2)26(21-9-4-3-5-10-21)15-13-25(14-16-26)19-33(24(35)34(25)18-20-7-6-8-20)22-11-12-23(31-17-22)27(28,29)30/h3-5,9-12,17,20H,6-8,13-16,18-19H2,1-2H3.
What are the key properties of 1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one?
1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 486.58 g/mol, XLogP of 5.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130201396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).