1-(2,4-dihydroxyphenyl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone

C16H22N2O3 — CID 79166787

IUPAC1-(2,4-dihydroxyphenyl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone
SMILESCN1C2CCC1CN(CC(=O)c1ccc(O)cc1O)CC2
InChIInChI=1S/C16H22N2O3/c1-17-11-2-3-12(17)9-18(7-6-11)10-16(21)14-5-4-13(19)8-15(14)20/h4-5,8,11-12,19-20H,2-3,6-7,9-10H2,1H3
InChIKeyCXOFWKONLKCNQJ-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.45
Rot. Bonds3

About 1-(2,4-dihydroxyphenyl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone

1-(2,4-dihydroxyphenyl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone (PubChem CID 79166787) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-(2,4-dihydroxyphenyl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone.

Molecular Properties

Compound Name1-(2,4-dihydroxyphenyl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone
PubChem CID79166787
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-(2,4-dihydroxyphenyl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone
SMILESCN1C2CCC1CN(CC(=O)c1ccc(O)cc1O)CC2
InChIInChI=1S/C16H22N2O3/c1-17-11-2-3-12(17)9-18(7-6-11)10-16(21)14-5-4-13(19)8-15(14)20/h4-5,8,11-12,19-20H,2-3,6-7,9-10H2,1H3
InChIKeyCXOFWKONLKCNQJ-UHFFFAOYSA-N
XLogP1.45
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2,4-dihydroxyphenyl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone with MolForge

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Related Compounds

2-(3-aminopiperidin-1-yl)-1-(2,4-dihydroxyphenyl)ethanone
CID 62036900
1-(2,4-dihydroxyphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 114798467
1-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]piperidine-4-carboxamide
CID 43219698
1-(5-chlorothiophen-2-yl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone
CID 79175254
1-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]piperidin-4-one
CID 60650473
(2-hydroxy-4-methoxyphenyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 79117583
1-(2,4-dihydroxyphenyl)-2-(2-ethylpyrrolidin-1-yl)ethanone
CID 54886074
ethyl 4-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]piperazine-1-carboxylate
CID 7198537
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(2,4-dihydroxyphenyl)ethanone
CID 82749840
5-methoxy-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]phenol
CID 82983416
1-(5-fluoro-2-hydroxyphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
CID 63170090
1-(4-chlorophenyl)-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one
CID 79164094

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dihydroxyphenyl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone?
The IUPAC name of 1-(2,4-dihydroxyphenyl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone (CID 79166787) is 1-(2,4-dihydroxyphenyl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone.
What is the SMILES notation for 1-(2,4-dihydroxyphenyl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone?
The canonical SMILES for 1-(2,4-dihydroxyphenyl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone is CN1C2CCC1CN(CC(=O)c1ccc(O)cc1O)CC2.
What is the InChIKey of 1-(2,4-dihydroxyphenyl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone?
The InChIKey is CXOFWKONLKCNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-17-11-2-3-12(17)9-18(7-6-11)10-16(21)14-5-4-13(19)8-15(14)20/h4-5,8,11-12,19-20H,2-3,6-7,9-10H2,1H3.
What are the key properties of 1-(2,4-dihydroxyphenyl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone?
1-(2,4-dihydroxyphenyl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone has a molecular weight of 290.36 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dihydroxyphenyl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone is sourced from PubChem (CID 79166787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).