2,8-diazaspiro[4.5]decan-2-yl-(4-hydroxy-3-methylphenyl)methanone

C16H22N2O2 — CID 91764202

IUPAC2,8-diazaspiro[4.5]decan-2-yl-(4-hydroxy-3-methylphenyl)methanone
SMILESCc1cc(C(=O)N2CCC3(CCNCC3)C2)ccc1O
InChIInChI=1S/C16H22N2O2/c1-12-10-13(2-3-14(12)19)15(20)18-9-6-16(11-18)4-7-17-8-5-16/h2-3,10,17,19H,4-9,11H2,1H3
InChIKeyOYZDOIFADKOMJP-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.92
Rot. Bonds1

About 2,8-diazaspiro[4.5]decan-2-yl-(4-hydroxy-3-methylphenyl)methanone

2,8-diazaspiro[4.5]decan-2-yl-(4-hydroxy-3-methylphenyl)methanone (PubChem CID 91764202) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2,8-diazaspiro[4.5]decan-2-yl-(4-hydroxy-3-methylphenyl)methanone.

Molecular Properties

Compound Name2,8-diazaspiro[4.5]decan-2-yl-(4-hydroxy-3-methylphenyl)methanone
PubChem CID91764202
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2,8-diazaspiro[4.5]decan-2-yl-(4-hydroxy-3-methylphenyl)methanone
SMILESCc1cc(C(=O)N2CCC3(CCNCC3)C2)ccc1O
InChIInChI=1S/C16H22N2O2/c1-12-10-13(2-3-14(12)19)15(20)18-9-6-16(11-18)4-7-17-8-5-16/h2-3,10,17,19H,4-9,11H2,1H3
InChIKeyOYZDOIFADKOMJP-UHFFFAOYSA-N
XLogP1.92
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,7-diazaspiro[4.4]nonan-2-yl-(3-methylphenyl)methanone
CID 82038241
3-ethyl-1-(4-hydroxy-3-methylbenzoyl)pyrrolidine-3-carboxylic acid
CID 107674875
2-(2-hydroxyethyl)-9-(4-hydroxy-3-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72936387
(4-hydroxy-3-methylphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107470864
(2,2-dimethylmorpholin-4-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 113357496
2,8-diazaspiro[4.5]decan-2-yl-(5-methylsulfonylthiophen-3-yl)methanone
CID 154762720
(7,7-dimethyl-1,4-thiazepan-4-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 107300756
(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 56744173
(3,4-dihydroxyphenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone
CID 103956121
2,8-diazaspiro[4.5]decan-2-yl-[3-[6-methyl-2-(methylamino)pyrimidin-4-yl]phenyl]methanone
CID 122561012
(1,1-dioxo-1,4-thiazinan-4-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 103955999
(3,5-dimethylpiperidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 103951623

Frequently Asked Questions

What is the IUPAC name of 2,8-diazaspiro[4.5]decan-2-yl-(4-hydroxy-3-methylphenyl)methanone?
The IUPAC name of 2,8-diazaspiro[4.5]decan-2-yl-(4-hydroxy-3-methylphenyl)methanone (CID 91764202) is 2,8-diazaspiro[4.5]decan-2-yl-(4-hydroxy-3-methylphenyl)methanone.
What is the SMILES notation for 2,8-diazaspiro[4.5]decan-2-yl-(4-hydroxy-3-methylphenyl)methanone?
The canonical SMILES for 2,8-diazaspiro[4.5]decan-2-yl-(4-hydroxy-3-methylphenyl)methanone is Cc1cc(C(=O)N2CCC3(CCNCC3)C2)ccc1O.
What is the InChIKey of 2,8-diazaspiro[4.5]decan-2-yl-(4-hydroxy-3-methylphenyl)methanone?
The InChIKey is OYZDOIFADKOMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12-10-13(2-3-14(12)19)15(20)18-9-6-16(11-18)4-7-17-8-5-16/h2-3,10,17,19H,4-9,11H2,1H3.
What are the key properties of 2,8-diazaspiro[4.5]decan-2-yl-(4-hydroxy-3-methylphenyl)methanone?
2,8-diazaspiro[4.5]decan-2-yl-(4-hydroxy-3-methylphenyl)methanone has a molecular weight of 274.36 g/mol, XLogP of 1.92, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-diazaspiro[4.5]decan-2-yl-(4-hydroxy-3-methylphenyl)methanone is sourced from PubChem (CID 91764202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).