8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

C23H27F3N4O — CID 130201128

IUPAC8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCc1cc(C(F)(F)F)ncc1N1CC2(CCC(c3ccccc3)(N(C)C)CC2)NC1=O
InChIInChI=1S/C23H27F3N4O/c1-16-13-19(23(24,25)26)27-14-18(16)30-15-21(28-20(30)31)9-11-22(12-10-21,29(2)3)17-7-5-4-6-8-17/h4-8,13-14H,9-12,15H2,1-3H3,(H,28,31)
InChIKeyQHCXZQZGWFOHPD-UHFFFAOYSA-N
MW432.49 g/mol
LogP4.71
Rot. Bonds3

About 8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130201128) has the molecular formula C23H27F3N4O and a molecular weight of 432.49 g/mol. Its IUPAC name is 8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130201128
Molecular FormulaC23H27F3N4O
Molecular Weight432.49 g/mol
Exact Mass432.21
IUPAC Name8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCc1cc(C(F)(F)F)ncc1N1CC2(CCC(c3ccccc3)(N(C)C)CC2)NC1=O
InChIInChI=1S/C23H27F3N4O/c1-16-13-19(23(24,25)26)27-14-18(16)30-15-21(28-20(30)31)9-11-22(12-10-21,29(2)3)17-7-5-4-6-8-17/h4-8,13-14H,9-12,15H2,1-3H3,(H,28,31)
InChIKeyQHCXZQZGWFOHPD-UHFFFAOYSA-N
XLogP4.71
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.49
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130201128) is 8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is Cc1cc(C(F)(F)F)ncc1N1CC2(CCC(c3ccccc3)(N(C)C)CC2)NC1=O.
What is the InChIKey of 8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is QHCXZQZGWFOHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N4O/c1-16-13-19(23(24,25)26)27-14-18(16)30-15-21(28-20(30)31)9-11-22(12-10-21,29(2)3)17-7-5-4-6-8-17/h4-8,13-14H,9-12,15H2,1-3H3,(H,28,31).
What are the key properties of 8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 432.49 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130201128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).