1-[3-[[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]methyl]azetidin-1-yl]ethanone

C23H35N3O — CID 118666504

IUPAC1-[3-[[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]methyl]azetidin-1-yl]ethanone
SMILESCC(=O)N1CC(CN2CCC3(CCC(c4ccccc4)(N(C)C)CC3)C2)C1
InChIInChI=1S/C23H35N3O/c1-19(27)26-16-20(17-26)15-25-14-13-22(18-25)9-11-23(12-10-22,24(2)3)21-7-5-4-6-8-21/h4-8,20H,9-18H2,1-3H3
InChIKeyMZBDVSLZWFKPKR-UHFFFAOYSA-N
MW369.55 g/mol
LogP3.19
Rot. Bonds4

About 1-[3-[[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]methyl]azetidin-1-yl]ethanone

1-[3-[[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]methyl]azetidin-1-yl]ethanone (PubChem CID 118666504) has the molecular formula C23H35N3O and a molecular weight of 369.55 g/mol. Its IUPAC name is 1-[3-[[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]methyl]azetidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]methyl]azetidin-1-yl]ethanone
PubChem CID118666504
Molecular FormulaC23H35N3O
Molecular Weight369.55 g/mol
Exact Mass369.28
IUPAC Name1-[3-[[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]methyl]azetidin-1-yl]ethanone
SMILESCC(=O)N1CC(CN2CCC3(CCC(c4ccccc4)(N(C)C)CC3)C2)C1
InChIInChI=1S/C23H35N3O/c1-19(27)26-16-20(17-26)15-25-14-13-22(18-25)9-11-23(12-10-22,24(2)3)21-7-5-4-6-8-21/h4-8,20H,9-18H2,1-3H3
InChIKeyMZBDVSLZWFKPKR-UHFFFAOYSA-N
XLogP3.19
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.55
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[3-[[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]methyl]azetidin-1-yl]ethanone with MolForge

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Related Compounds

1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2-(oxolan-3-yl)ethanone
CID 118662319
1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-3-methoxy-3-methylbutan-1-one
CID 118662087
[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-(oxan-4-yl)methanone
CID 118662447
1-[2-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]ethyl]cyclobutane-1-carbonitrile
CID 118662456
3-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2,2-dimethyl-3-oxopropanenitrile
CID 118662153
2-(4-methoxy-4-methylpentyl)-N,N-dimethyl-8-phenyl-2-azaspiro[4.5]decan-8-amine
CID 118662045
[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-[1-(methoxymethyl)cyclobutyl]methanone
CID 118662277
N,N-dimethyl-2-[2-(oxolan-2-yl)ethyl]-8-phenyl-2-azaspiro[4.5]decan-8-amine
CID 118661944
2-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-3-one
CID 118662299
1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-4-methoxy-4-methylpentan-1-one
CID 118662468
1-[1'-(piperidin-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl]ethanone
CID 134790197
1-[3-(pyrrolidin-1-ylmethyl)azetidin-1-yl]ethanone
CID 166860595

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]methyl]azetidin-1-yl]ethanone?
The IUPAC name of 1-[3-[[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]methyl]azetidin-1-yl]ethanone (CID 118666504) is 1-[3-[[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]methyl]azetidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]methyl]azetidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]methyl]azetidin-1-yl]ethanone is CC(=O)N1CC(CN2CCC3(CCC(c4ccccc4)(N(C)C)CC3)C2)C1.
What is the InChIKey of 1-[3-[[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]methyl]azetidin-1-yl]ethanone?
The InChIKey is MZBDVSLZWFKPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O/c1-19(27)26-16-20(17-26)15-25-14-13-22(18-25)9-11-23(12-10-22,24(2)3)21-7-5-4-6-8-21/h4-8,20H,9-18H2,1-3H3.
What are the key properties of 1-[3-[[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]methyl]azetidin-1-yl]ethanone?
1-[3-[[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]methyl]azetidin-1-yl]ethanone has a molecular weight of 369.55 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]methyl]azetidin-1-yl]ethanone is sourced from PubChem (CID 118666504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).