(4-methoxy-2-methylphenyl)-[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]methanone

C18H26N2O2 — CID 95218279

IUPAC(4-methoxy-2-methylphenyl)-[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC[C@@]3(CCN(C)C3)C2)c(C)c1
InChIInChI=1S/C18H26N2O2/c1-14-11-15(22-3)5-6-16(14)17(21)20-9-4-7-18(13-20)8-10-19(2)12-18/h5-6,11H,4,7-10,12-13H2,1-3H3/t18-/m0/s1
InChIKeyXQXPNKXCLLMCCT-SFHVURJKSA-N
MW302.42 g/mol
LogP2.56
Rot. Bonds2

About (4-methoxy-2-methylphenyl)-[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]methanone

(4-methoxy-2-methylphenyl)-[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]methanone (PubChem CID 95218279) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is (4-methoxy-2-methylphenyl)-[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]methanone.

Molecular Properties

Compound Name(4-methoxy-2-methylphenyl)-[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]methanone
PubChem CID95218279
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name(4-methoxy-2-methylphenyl)-[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC[C@@]3(CCN(C)C3)C2)c(C)c1
InChIInChI=1S/C18H26N2O2/c1-14-11-15(22-3)5-6-16(14)17(21)20-9-4-7-18(13-20)8-10-19(2)12-18/h5-6,11H,4,7-10,12-13H2,1-3H3/t18-/m0/s1
InChIKeyXQXPNKXCLLMCCT-SFHVURJKSA-N
XLogP2.56
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-methoxy-2-methylphenyl)-[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]methanone with MolForge

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Related Compounds

(3-methoxyphenyl)-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methanone
CID 134078666
(5R)-9-(4-methoxy-2-methylbenzoyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95723972
(5S)-N-(5-methoxy-2-methylphenyl)-7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxamide
CID 97276888
(7-methoxyquinolin-3-yl)-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methanone
CID 171681019
(2-amino-4-methoxyphenyl)-(8-azaspiro[4.5]decan-8-yl)methanone
CID 115413231
(5R)-9-(4-methoxybenzoyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 3234426
(2-methoxy-5-methylphenyl)-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
CID 112534319
[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 95043098
(2-hydroxy-4-methoxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107404889
3-amino-1-(2-hydroxy-4-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 107323662
[(5R)-5-hydroxy-3,3-dimethylazepan-1-yl]-(4-methoxy-2-methylphenyl)methanone
CID 125144744
[(5R)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 95229385

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2-methylphenyl)-[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The IUPAC name of (4-methoxy-2-methylphenyl)-[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]methanone (CID 95218279) is (4-methoxy-2-methylphenyl)-[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]methanone.
What is the SMILES notation for (4-methoxy-2-methylphenyl)-[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The canonical SMILES for (4-methoxy-2-methylphenyl)-[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]methanone is COc1ccc(C(=O)N2CCC[C@@]3(CCN(C)C3)C2)c(C)c1.
What is the InChIKey of (4-methoxy-2-methylphenyl)-[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The InChIKey is XQXPNKXCLLMCCT-SFHVURJKSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-14-11-15(22-3)5-6-16(14)17(21)20-9-4-7-18(13-20)8-10-19(2)12-18/h5-6,11H,4,7-10,12-13H2,1-3H3/t18-/m0/s1.
What are the key properties of (4-methoxy-2-methylphenyl)-[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]methanone?
(4-methoxy-2-methylphenyl)-[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]methanone has a molecular weight of 302.42 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2-methylphenyl)-[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]methanone is sourced from PubChem (CID 95218279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).