1-[2-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2-oxoethyl]cyclobutane-1-carbonitrile

C24H33N3O — CID 118662189

IUPAC1-[2-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2-oxoethyl]cyclobutane-1-carbonitrile
SMILESCN(C)C1(c2ccccc2)CCC2(CCN(C(=O)CC3(C#N)CCC3)C2)CC1
InChIInChI=1S/C24H33N3O/c1-26(2)24(20-7-4-3-5-8-20)13-11-22(12-14-24)15-16-27(19-22)21(28)17-23(18-25)9-6-10-23/h3-5,7-8H,6,9-17,19H2,1-2H3
InChIKeyBZYMYXQZRRHYCR-UHFFFAOYSA-N
MW379.55 g/mol
LogP4.32
Rot. Bonds4

About 1-[2-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2-oxoethyl]cyclobutane-1-carbonitrile

1-[2-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2-oxoethyl]cyclobutane-1-carbonitrile (PubChem CID 118662189) has the molecular formula C24H33N3O and a molecular weight of 379.55 g/mol. Its IUPAC name is 1-[2-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2-oxoethyl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[2-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2-oxoethyl]cyclobutane-1-carbonitrile
PubChem CID118662189
Molecular FormulaC24H33N3O
Molecular Weight379.55 g/mol
Exact Mass379.26
IUPAC Name1-[2-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2-oxoethyl]cyclobutane-1-carbonitrile
SMILESCN(C)C1(c2ccccc2)CCC2(CCN(C(=O)CC3(C#N)CCC3)C2)CC1
InChIInChI=1S/C24H33N3O/c1-26(2)24(20-7-4-3-5-8-20)13-11-22(12-14-24)15-16-27(19-22)21(28)17-23(18-25)9-6-10-23/h3-5,7-8H,6,9-17,19H2,1-2H3
InChIKeyBZYMYXQZRRHYCR-UHFFFAOYSA-N
XLogP4.32
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2-oxoethyl]cyclobutane-1-carbonitrile?
The IUPAC name of 1-[2-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2-oxoethyl]cyclobutane-1-carbonitrile (CID 118662189) is 1-[2-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2-oxoethyl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[2-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2-oxoethyl]cyclobutane-1-carbonitrile?
The canonical SMILES for 1-[2-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2-oxoethyl]cyclobutane-1-carbonitrile is CN(C)C1(c2ccccc2)CCC2(CCN(C(=O)CC3(C#N)CCC3)C2)CC1.
What is the InChIKey of 1-[2-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2-oxoethyl]cyclobutane-1-carbonitrile?
The InChIKey is BZYMYXQZRRHYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O/c1-26(2)24(20-7-4-3-5-8-20)13-11-22(12-14-24)15-16-27(19-22)21(28)17-23(18-25)9-6-10-23/h3-5,7-8H,6,9-17,19H2,1-2H3.
What are the key properties of 1-[2-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2-oxoethyl]cyclobutane-1-carbonitrile?
1-[2-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2-oxoethyl]cyclobutane-1-carbonitrile has a molecular weight of 379.55 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2-oxoethyl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 118662189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).