1-[8-benzyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]butan-1-one

C22H34N2O — CID 118666001

IUPAC1-[8-benzyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]butan-1-one
SMILESCCCC(=O)N1CCC2(CCC(Cc3ccccc3)(N(C)C)CC2)C1
InChIInChI=1S/C22H34N2O/c1-4-8-20(25)24-16-15-21(18-24)11-13-22(14-12-21,23(2)3)17-19-9-6-5-7-10-19/h5-7,9-10H,4,8,11-18H2,1-3H3
InChIKeyWWMKOJDHXSLARQ-UHFFFAOYSA-N
MW342.53 g/mol
LogP4.12
Rot. Bonds5

About 1-[8-benzyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]butan-1-one

1-[8-benzyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]butan-1-one (PubChem CID 118666001) has the molecular formula C22H34N2O and a molecular weight of 342.53 g/mol. Its IUPAC name is 1-[8-benzyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]butan-1-one.

Molecular Properties

Compound Name1-[8-benzyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]butan-1-one
PubChem CID118666001
Molecular FormulaC22H34N2O
Molecular Weight342.53 g/mol
Exact Mass342.27
IUPAC Name1-[8-benzyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]butan-1-one
SMILESCCCC(=O)N1CCC2(CCC(Cc3ccccc3)(N(C)C)CC2)C1
InChIInChI=1S/C22H34N2O/c1-4-8-20(25)24-16-15-21(18-24)11-13-22(14-12-21,23(2)3)17-19-9-6-5-7-10-19/h5-7,9-10H,4,8,11-18H2,1-3H3
InChIKeyWWMKOJDHXSLARQ-UHFFFAOYSA-N
XLogP4.12
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.53
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]butan-1-one
CID 118661979
1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-3-phenoxypropan-1-one
CID 112534348
1-(5-azaspiro[2.5]octan-5-yl)butan-1-one
CID 130890888
6-butanoyl-6-azaspiro[3.4]octan-2-one
CID 130352650
tert-butyl 4-benzyl-4-(dimethylamino)piperidine-1-carboxylate
CID 170993454
1-[8-butyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-4-methoxy-4-methylpentan-1-one
CID 118662068
1-butanoyl-4-phenylpiperidine-4-carboxylic acid
CID 22240994
1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-4-methoxy-4-methylpentan-1-one
CID 118662468
4-butanoyl-N,N-dimethyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide
CID 110233150
1-spiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,3'-pyrrolidine]-1'-ylbutan-1-one
CID 131672176
1-(4-benzylpiperazin-1-yl)butan-1-one
CID 874457
(3R)-N-benzyl-1-butanoyl-3-methylpiperidine-3-carboxamide
CID 93071246

Frequently Asked Questions

What is the IUPAC name of 1-[8-benzyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]butan-1-one?
The IUPAC name of 1-[8-benzyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]butan-1-one (CID 118666001) is 1-[8-benzyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]butan-1-one.
What is the SMILES notation for 1-[8-benzyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]butan-1-one?
The canonical SMILES for 1-[8-benzyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]butan-1-one is CCCC(=O)N1CCC2(CCC(Cc3ccccc3)(N(C)C)CC2)C1.
What is the InChIKey of 1-[8-benzyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]butan-1-one?
The InChIKey is WWMKOJDHXSLARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O/c1-4-8-20(25)24-16-15-21(18-24)11-13-22(14-12-21,23(2)3)17-19-9-6-5-7-10-19/h5-7,9-10H,4,8,11-18H2,1-3H3.
What are the key properties of 1-[8-benzyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]butan-1-one?
1-[8-benzyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]butan-1-one has a molecular weight of 342.53 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-benzyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]butan-1-one is sourced from PubChem (CID 118666001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).