8-(dimethylamino)-8-phenyl-3-(5-pyridin-4-ylthiophen-2-yl)-1,3-diazaspiro[4.5]decan-2-one

C25H28N4OS — CID 130200925

IUPAC8-(dimethylamino)-8-phenyl-3-(5-pyridin-4-ylthiophen-2-yl)-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(-c3ccncc3)s1)C(=O)N2
InChIInChI=1S/C25H28N4OS/c1-28(2)25(20-6-4-3-5-7-20)14-12-24(13-15-25)18-29(23(30)27-24)22-9-8-21(31-22)19-10-16-26-17-11-19/h3-11,16-17H,12-15,18H2,1-2H3,(H,27,30)
InChIKeyVKIBGUZLHGQDKQ-UHFFFAOYSA-N
MW432.59 g/mol
LogP5.11
Rot. Bonds4

About 8-(dimethylamino)-8-phenyl-3-(5-pyridin-4-ylthiophen-2-yl)-1,3-diazaspiro[4.5]decan-2-one

8-(dimethylamino)-8-phenyl-3-(5-pyridin-4-ylthiophen-2-yl)-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130200925) has the molecular formula C25H28N4OS and a molecular weight of 432.59 g/mol. Its IUPAC name is 8-(dimethylamino)-8-phenyl-3-(5-pyridin-4-ylthiophen-2-yl)-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-8-phenyl-3-(5-pyridin-4-ylthiophen-2-yl)-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130200925
Molecular FormulaC25H28N4OS
Molecular Weight432.59 g/mol
Exact Mass432.20
IUPAC Name8-(dimethylamino)-8-phenyl-3-(5-pyridin-4-ylthiophen-2-yl)-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(-c3ccncc3)s1)C(=O)N2
InChIInChI=1S/C25H28N4OS/c1-28(2)25(20-6-4-3-5-7-20)14-12-24(13-15-25)18-29(23(30)27-24)22-9-8-21(31-22)19-10-16-26-17-11-19/h3-11,16-17H,12-15,18H2,1-2H3,(H,27,30)
InChIKeyVKIBGUZLHGQDKQ-UHFFFAOYSA-N
XLogP5.11
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.59
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-8-phenyl-3-(5-pyridin-4-ylthiophen-2-yl)-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-8-phenyl-3-(5-pyridin-4-ylthiophen-2-yl)-1,3-diazaspiro[4.5]decan-2-one (CID 130200925) is 8-(dimethylamino)-8-phenyl-3-(5-pyridin-4-ylthiophen-2-yl)-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-8-phenyl-3-(5-pyridin-4-ylthiophen-2-yl)-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-8-phenyl-3-(5-pyridin-4-ylthiophen-2-yl)-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(-c3ccncc3)s1)C(=O)N2.
What is the InChIKey of 8-(dimethylamino)-8-phenyl-3-(5-pyridin-4-ylthiophen-2-yl)-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is VKIBGUZLHGQDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4OS/c1-28(2)25(20-6-4-3-5-7-20)14-12-24(13-15-25)18-29(23(30)27-24)22-9-8-21(31-22)19-10-16-26-17-11-19/h3-11,16-17H,12-15,18H2,1-2H3,(H,27,30).
What are the key properties of 8-(dimethylamino)-8-phenyl-3-(5-pyridin-4-ylthiophen-2-yl)-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-8-phenyl-3-(5-pyridin-4-ylthiophen-2-yl)-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 432.59 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-8-phenyl-3-(5-pyridin-4-ylthiophen-2-yl)-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130200925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).