[8-(azetidin-1-yl)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-phenylmethanone

C23H28N2OS — CID 118666638

IUPAC[8-(azetidin-1-yl)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC2(CCC(c3cccs3)(N3CCC3)CC2)C1
InChIInChI=1S/C23H28N2OS/c26-21(19-6-2-1-3-7-19)24-16-13-22(18-24)9-11-23(12-10-22,25-14-5-15-25)20-8-4-17-27-20/h1-4,6-8,17H,5,9-16,18H2
InChIKeyCVUXZUXULDTDLF-UHFFFAOYSA-N
MW380.56 g/mol
LogP4.76
Rot. Bonds3

About [8-(azetidin-1-yl)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-phenylmethanone

[8-(azetidin-1-yl)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-phenylmethanone (PubChem CID 118666638) has the molecular formula C23H28N2OS and a molecular weight of 380.56 g/mol. Its IUPAC name is [8-(azetidin-1-yl)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[8-(azetidin-1-yl)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-phenylmethanone
PubChem CID118666638
Molecular FormulaC23H28N2OS
Molecular Weight380.56 g/mol
Exact Mass380.19
IUPAC Name[8-(azetidin-1-yl)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC2(CCC(c3cccs3)(N3CCC3)CC2)C1
InChIInChI=1S/C23H28N2OS/c26-21(19-6-2-1-3-7-19)24-16-13-22(18-24)9-11-23(12-10-22,25-14-5-15-25)20-8-4-17-27-20/h1-4,6-8,17H,5,9-16,18H2
InChIKeyCVUXZUXULDTDLF-UHFFFAOYSA-N
XLogP4.76
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.56
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-phenylmethanone
CID 118666639
1-[2-(4-thiophen-2-ylbenzoyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 97448869
[9-(1H-pyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-pyridin-4-ylmethanone
CID 167940871
1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]butan-1-one
CID 118661979
2-azaspiro[5.5]undecan-2-yl(pyridin-3-yl)methanone
CID 54582941
[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-imidazol-1-ylmethanone
CID 118666660
1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-2-(oxan-4-yl)ethanone
CID 118662425
[2-(1H-indole-5-carbonyl)-2,7-diazaspiro[4.4]nonan-7-yl]-phenylmethanone
CID 167847240
[2-(1,3-thiazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone
CID 97369944
[(5S)-7-(pyrazine-2-carbonyl)-2,7-diazaspiro[4.5]decan-2-yl]-pyridin-4-ylmethanone
CID 97370481
[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-(oxan-4-yl)methanone
CID 118662064
phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 742493

Frequently Asked Questions

What is the IUPAC name of [8-(azetidin-1-yl)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-phenylmethanone?
The IUPAC name of [8-(azetidin-1-yl)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-phenylmethanone (CID 118666638) is [8-(azetidin-1-yl)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-phenylmethanone.
What is the SMILES notation for [8-(azetidin-1-yl)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-phenylmethanone?
The canonical SMILES for [8-(azetidin-1-yl)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-phenylmethanone is O=C(c1ccccc1)N1CCC2(CCC(c3cccs3)(N3CCC3)CC2)C1.
What is the InChIKey of [8-(azetidin-1-yl)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-phenylmethanone?
The InChIKey is CVUXZUXULDTDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2OS/c26-21(19-6-2-1-3-7-19)24-16-13-22(18-24)9-11-23(12-10-22,25-14-5-15-25)20-8-4-17-27-20/h1-4,6-8,17H,5,9-16,18H2.
What are the key properties of [8-(azetidin-1-yl)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-phenylmethanone?
[8-(azetidin-1-yl)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-phenylmethanone has a molecular weight of 380.56 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(azetidin-1-yl)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-phenylmethanone is sourced from PubChem (CID 118666638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).