1-(7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-2-(2,4,6-trimethylphenyl)ethanone

C22H35N3O — CID 118772715

IUPAC1-(7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-2-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(CC(=O)N2CCC3(CC2)CN(C)CCCN3C)c(C)c1
InChIInChI=1S/C22H35N3O/c1-17-13-18(2)20(19(3)14-17)15-21(26)25-11-7-22(8-12-25)16-23(4)9-6-10-24(22)5/h13-14H,6-12,15-16H2,1-5H3
InChIKeyCIUWQRHLFGTWPQ-UHFFFAOYSA-N
MW357.54 g/mol
LogP2.78
Rot. Bonds2

About 1-(7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-2-(2,4,6-trimethylphenyl)ethanone

1-(7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-2-(2,4,6-trimethylphenyl)ethanone (PubChem CID 118772715) has the molecular formula C22H35N3O and a molecular weight of 357.54 g/mol. Its IUPAC name is 1-(7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-2-(2,4,6-trimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-2-(2,4,6-trimethylphenyl)ethanone
PubChem CID118772715
Molecular FormulaC22H35N3O
Molecular Weight357.54 g/mol
Exact Mass357.28
IUPAC Name1-(7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-2-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(CC(=O)N2CCC3(CC2)CN(C)CCCN3C)c(C)c1
InChIInChI=1S/C22H35N3O/c1-17-13-18(2)20(19(3)14-17)15-21(26)25-11-7-22(8-12-25)16-23(4)9-6-10-24(22)5/h13-14H,6-12,15-16H2,1-5H3
InChIKeyCIUWQRHLFGTWPQ-UHFFFAOYSA-N
XLogP2.78
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-2-(2,4,6-trimethylphenyl)ethanone with MolForge

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Related Compounds

(3S)-3-hydroxy-1-[2-(2,4,6-trimethylphenyl)acetyl]piperidine-3-carboxamide
CID 100651991
1-[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]-2-(2,4,6-trimethylphenyl)ethanone
CID 110809409
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-(2,4,6-trimethylphenyl)ethanone
CID 110803872
1-methyl-3-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-3-ol
CID 62977084
(1R,5S)-3-[2-(2,4,6-trimethylphenyl)acetyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid
CID 135110128
N-cyclopentyl-4-[2-(2,4,6-trimethylphenyl)acetyl]-1,4-diazepane-1-carboxamide
CID 110813845
1-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-3-(3-methoxy-4-methylphenyl)propan-1-one
CID 56757012
(7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(2-pyridin-4-ylpyrimidin-5-yl)methanone
CID 72929703
(7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(3-hydroxy-4-pyridinyl)methanone
CID 77090878
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methoxy-4,6-dimethylphenyl)ethanone
CID 110771686
1-(azepan-1-yl)-4-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)butane-1,4-dione
CID 56755352
2-(3-hydroxyphenyl)-1-(1-methyl-1,9-diazaspiro[4.6]undecan-9-yl)ethanone
CID 131679295

Frequently Asked Questions

What is the IUPAC name of 1-(7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-2-(2,4,6-trimethylphenyl)ethanone?
The IUPAC name of 1-(7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-2-(2,4,6-trimethylphenyl)ethanone (CID 118772715) is 1-(7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-2-(2,4,6-trimethylphenyl)ethanone.
What is the SMILES notation for 1-(7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-2-(2,4,6-trimethylphenyl)ethanone?
The canonical SMILES for 1-(7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-2-(2,4,6-trimethylphenyl)ethanone is Cc1cc(C)c(CC(=O)N2CCC3(CC2)CN(C)CCCN3C)c(C)c1.
What is the InChIKey of 1-(7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-2-(2,4,6-trimethylphenyl)ethanone?
The InChIKey is CIUWQRHLFGTWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O/c1-17-13-18(2)20(19(3)14-17)15-21(26)25-11-7-22(8-12-25)16-23(4)9-6-10-24(22)5/h13-14H,6-12,15-16H2,1-5H3.
What are the key properties of 1-(7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-2-(2,4,6-trimethylphenyl)ethanone?
1-(7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-2-(2,4,6-trimethylphenyl)ethanone has a molecular weight of 357.54 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-2-(2,4,6-trimethylphenyl)ethanone is sourced from PubChem (CID 118772715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).