[(5S)-2,9-diazaspiro[4.5]decan-2-yl]-(2,4,5-trimethylphenyl)methanone

C18H26N2O — CID 95217985

IUPAC[(5S)-2,9-diazaspiro[4.5]decan-2-yl]-(2,4,5-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)N2CC[C@]3(CCCNC3)C2)cc1C
InChIInChI=1S/C18H26N2O/c1-13-9-15(3)16(10-14(13)2)17(21)20-8-6-18(12-20)5-4-7-19-11-18/h9-10,19H,4-8,11-12H2,1-3H3/t18-/m0/s1
InChIKeyWKFREQIQCMNAAR-SFHVURJKSA-N
MW286.42 g/mol
LogP2.83
Rot. Bonds1

About [(5S)-2,9-diazaspiro[4.5]decan-2-yl]-(2,4,5-trimethylphenyl)methanone

[(5S)-2,9-diazaspiro[4.5]decan-2-yl]-(2,4,5-trimethylphenyl)methanone (PubChem CID 95217985) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is [(5S)-2,9-diazaspiro[4.5]decan-2-yl]-(2,4,5-trimethylphenyl)methanone.

Molecular Properties

Compound Name[(5S)-2,9-diazaspiro[4.5]decan-2-yl]-(2,4,5-trimethylphenyl)methanone
PubChem CID95217985
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name[(5S)-2,9-diazaspiro[4.5]decan-2-yl]-(2,4,5-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)N2CC[C@]3(CCCNC3)C2)cc1C
InChIInChI=1S/C18H26N2O/c1-13-9-15(3)16(10-14(13)2)17(21)20-8-6-18(12-20)5-4-7-19-11-18/h9-10,19H,4-8,11-12H2,1-3H3/t18-/m0/s1
InChIKeyWKFREQIQCMNAAR-SFHVURJKSA-N
XLogP2.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(5S)-2,9-diazaspiro[4.5]decan-2-yl]-(2,4,5-trimethylphenyl)methanone with MolForge

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Related Compounds

2,9-diazaspiro[4.5]decan-2-yl-(2,4,5-trimethylphenyl)methanone
CID 56754594
2,9-diazaspiro[4.5]decan-2-yl-(2,8-dimethylquinolin-3-yl)methanone;dihydrochloride
CID 154890513
2,8-diazaspiro[5.5]undecan-2-yl-(3,6-dimethylpyridazin-4-yl)methanone
CID 102849821
2,8-diazaspiro[5.5]undecan-2-yl-(2-hydroxy-4-methylphenyl)methanone
CID 102849920
2,8-diazaspiro[5.5]undecan-2-yl-(3,5-dimethylphenyl)methanone
CID 102849786
(2-bromo-4-methylphenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone
CID 102849898
2,8-diazaspiro[5.5]undecan-2-yl-(5-methyl-1,2-oxazol-4-yl)methanone
CID 102849787
3-(2,9-diazaspiro[4.5]decane-2-carbonyl)-1,6-dimethylquinolin-4-one;hydrochloride
CID 154885407
3-(2,9-diazaspiro[4.5]decane-2-carbonyl)-1H-quinolin-2-one
CID 56752764
(5S)-2,9-diazaspiro[4.5]decane-2-carboxylic acid
CID 99185249
2,9-diazaspiro[4.5]decan-2-yl-(4-methyl-2-phenylpyrimidin-5-yl)methanone
CID 56742818
2,9-diazaspiro[4.5]decan-2-yl(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 56750707

Frequently Asked Questions

What is the IUPAC name of [(5S)-2,9-diazaspiro[4.5]decan-2-yl]-(2,4,5-trimethylphenyl)methanone?
The IUPAC name of [(5S)-2,9-diazaspiro[4.5]decan-2-yl]-(2,4,5-trimethylphenyl)methanone (CID 95217985) is [(5S)-2,9-diazaspiro[4.5]decan-2-yl]-(2,4,5-trimethylphenyl)methanone.
What is the SMILES notation for [(5S)-2,9-diazaspiro[4.5]decan-2-yl]-(2,4,5-trimethylphenyl)methanone?
The canonical SMILES for [(5S)-2,9-diazaspiro[4.5]decan-2-yl]-(2,4,5-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)N2CC[C@]3(CCCNC3)C2)cc1C.
What is the InChIKey of [(5S)-2,9-diazaspiro[4.5]decan-2-yl]-(2,4,5-trimethylphenyl)methanone?
The InChIKey is WKFREQIQCMNAAR-SFHVURJKSA-N. The full InChI is InChI=1S/C18H26N2O/c1-13-9-15(3)16(10-14(13)2)17(21)20-8-6-18(12-20)5-4-7-19-11-18/h9-10,19H,4-8,11-12H2,1-3H3/t18-/m0/s1.
What are the key properties of [(5S)-2,9-diazaspiro[4.5]decan-2-yl]-(2,4,5-trimethylphenyl)methanone?
[(5S)-2,9-diazaspiro[4.5]decan-2-yl]-(2,4,5-trimethylphenyl)methanone has a molecular weight of 286.42 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-2,9-diazaspiro[4.5]decan-2-yl]-(2,4,5-trimethylphenyl)methanone is sourced from PubChem (CID 95217985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).