1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(4-methoxyphenyl)-2-methylpropan-1-one

C20H30N2O2 — CID 82038036

IUPAC1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(4-methoxyphenyl)-2-methylpropan-1-one
SMILESCOc1ccc(C(C)(C)C(=O)N2CCCC3(CCCNC3)C2)cc1
InChIInChI=1S/C20H30N2O2/c1-19(2,16-6-8-17(24-3)9-7-16)18(23)22-13-5-11-20(15-22)10-4-12-21-14-20/h6-9,21H,4-5,10-15H2,1-3H3
InChIKeyGSKMGKNBQIDPBT-UHFFFAOYSA-N
MW330.47 g/mol
LogP2.96
Rot. Bonds3

About 1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(4-methoxyphenyl)-2-methylpropan-1-one

1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(4-methoxyphenyl)-2-methylpropan-1-one (PubChem CID 82038036) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(4-methoxyphenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(4-methoxyphenyl)-2-methylpropan-1-one
PubChem CID82038036
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(4-methoxyphenyl)-2-methylpropan-1-one
SMILESCOc1ccc(C(C)(C)C(=O)N2CCCC3(CCCNC3)C2)cc1
InChIInChI=1S/C20H30N2O2/c1-19(2,16-6-8-17(24-3)9-7-16)18(23)22-13-5-11-20(15-22)10-4-12-21-14-20/h6-9,21H,4-5,10-15H2,1-3H3
InChIKeyGSKMGKNBQIDPBT-UHFFFAOYSA-N
XLogP2.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,4-diazepan-1-yl)-2-(4-methoxyphenyl)-2-methylpropan-1-one
CID 94699665
(3R)-3-hydroxy-1-[2-(4-methoxyphenyl)-2-methylpropanoyl]piperidine-3-carboxamide
CID 129486064
(3R)-1-[2-(4-methoxyphenyl)-2-methylpropanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124685750
2,8-diazaspiro[5.5]undecan-2-yl-(3-methoxythiophen-2-yl)methanone
CID 82038139
1-(2,7-diazaspiro[4.5]decan-7-yl)-2-methyl-2-pyrrol-1-ylpropan-1-one
CID 56752064
(5R)-N-[(2,5-dimethoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide
CID 126422687
2,8-diazaspiro[5.5]undecan-2-yl-[1-(2-methoxyphenyl)cyclopentyl]methanone
CID 82037990
2,7-diazaspiro[4.5]decan-7-yl-[1-(3-methoxyphenyl)cyclopentyl]methanone
CID 126813294
2-(4-methoxyphenyl)-2-methyl-1-(5-methyl-1,4-diazepan-1-yl)propan-1-one
CID 82250793
1-(2,8-diazaspiro[5.5]undecan-2-yl)-3-methoxypropan-1-one
CID 82038245
2,8-diazaspiro[5.5]undecan-2-yl-(3,5-dimethylphenyl)methanone
CID 102849786
2,8-diazaspiro[5.5]undecan-2-yl-(4-methylsulfanylphenyl)methanone
CID 102849889

Frequently Asked Questions

What is the IUPAC name of 1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(4-methoxyphenyl)-2-methylpropan-1-one?
The IUPAC name of 1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(4-methoxyphenyl)-2-methylpropan-1-one (CID 82038036) is 1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(4-methoxyphenyl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(4-methoxyphenyl)-2-methylpropan-1-one?
The canonical SMILES for 1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(4-methoxyphenyl)-2-methylpropan-1-one is COc1ccc(C(C)(C)C(=O)N2CCCC3(CCCNC3)C2)cc1.
What is the InChIKey of 1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(4-methoxyphenyl)-2-methylpropan-1-one?
The InChIKey is GSKMGKNBQIDPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-19(2,16-6-8-17(24-3)9-7-16)18(23)22-13-5-11-20(15-22)10-4-12-21-14-20/h6-9,21H,4-5,10-15H2,1-3H3.
What are the key properties of 1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(4-methoxyphenyl)-2-methylpropan-1-one?
1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(4-methoxyphenyl)-2-methylpropan-1-one has a molecular weight of 330.47 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(4-methoxyphenyl)-2-methylpropan-1-one is sourced from PubChem (CID 82038036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).