2-[2-(dimethylamino)ethyl]-8-[(3,5-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one

C21H33N3O — CID 97449717

IUPAC2-[2-(dimethylamino)ethyl]-8-[(3,5-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1cc(C)cc(CN2CCC3(CC2)CCN(CCN(C)C)C3=O)c1
InChIInChI=1S/C21H33N3O/c1-17-13-18(2)15-19(14-17)16-23-8-5-21(6-9-23)7-10-24(20(21)25)12-11-22(3)4/h13-15H,5-12,16H2,1-4H3
InChIKeySZROITGUXSCIJH-UHFFFAOYSA-N
MW343.52 g/mol
LogP2.68
Rot. Bonds5

About 2-[2-(dimethylamino)ethyl]-8-[(3,5-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one

2-[2-(dimethylamino)ethyl]-8-[(3,5-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 97449717) has the molecular formula C21H33N3O and a molecular weight of 343.52 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-8-[(3,5-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-8-[(3,5-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID97449717
Molecular FormulaC21H33N3O
Molecular Weight343.52 g/mol
Exact Mass343.26
IUPAC Name2-[2-(dimethylamino)ethyl]-8-[(3,5-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1cc(C)cc(CN2CCC3(CC2)CCN(CCN(C)C)C3=O)c1
InChIInChI=1S/C21H33N3O/c1-17-13-18(2)15-19(14-17)16-23-8-5-21(6-9-23)7-10-24(20(21)25)12-11-22(3)4/h13-15H,5-12,16H2,1-4H3
InChIKeySZROITGUXSCIJH-UHFFFAOYSA-N
XLogP2.68
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.52
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(dimethylamino)ethyl]-8-[(3,5-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one;bis(2,2,2-trifluoroacetic acid)
CID 155853444
2-[2-(dimethylamino)ethyl]-7-[(4-methylphenyl)methyl]-2,7-diazaspiro[3.5]nonan-3-one
CID 97472843
2-[2-(dimethylamino)ethyl]-8-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 97362471
2-[2-(dimethylamino)ethyl]-8-[(5-methylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 97370180
2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[4.5]decan-1-one
CID 117003116
8-[(3,5-dimethylphenyl)methyl]-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 155827727
N,N-dimethyl-2-[8-[(1-methylpyrazol-4-yl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-2-yl]acetamide
CID 97449772
1-[(3,5-dimethylphenyl)methyl]pyrrolidine
CID 90278828
1-[(3,5-dimethylphenyl)methyl]-N,4-dimethylpiperidin-4-amine
CID 113282864
2-[2-(dimethylamino)ethyl]-7-(4-methylbenzoyl)-2,7-diazaspiro[3.5]nonan-3-one
CID 97392951
2-[2-(dimethylamino)ethyl]-8-(oxan-4-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 155835342
2-(2-methoxyethyl)-8-[(5-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 97370190

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-8-[(3,5-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-8-[(3,5-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one (CID 97449717) is 2-[2-(dimethylamino)ethyl]-8-[(3,5-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-8-[(3,5-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-8-[(3,5-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one is Cc1cc(C)cc(CN2CCC3(CC2)CCN(CCN(C)C)C3=O)c1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-8-[(3,5-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is SZROITGUXSCIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O/c1-17-13-18(2)15-19(14-17)16-23-8-5-21(6-9-23)7-10-24(20(21)25)12-11-22(3)4/h13-15H,5-12,16H2,1-4H3.
What are the key properties of 2-[2-(dimethylamino)ethyl]-8-[(3,5-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one?
2-[2-(dimethylamino)ethyl]-8-[(3,5-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 343.52 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-8-[(3,5-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 97449717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).