(1-hydroxynaphthalen-2-yl)-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone

C19H22N2O2 — CID 133121038

IUPAC(1-hydroxynaphthalen-2-yl)-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone
SMILESCN1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc3ccccc3c1O)C2
InChIInChI=1S/C19H22N2O2/c1-20-10-13-6-8-15(20)12-21(11-13)19(23)17-9-7-14-4-2-3-5-16(14)18(17)22/h2-5,7,9,13,15,22H,6,8,10-12H2,1H3/t13-,15-/m1/s1
InChIKeyFBTYEMGUMWACBU-UKRRQHHQSA-N
MW310.40 g/mol
LogP2.71
Rot. Bonds1

About (1-hydroxynaphthalen-2-yl)-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone

(1-hydroxynaphthalen-2-yl)-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone (PubChem CID 133121038) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (1-hydroxynaphthalen-2-yl)-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone.

Molecular Properties

Compound Name(1-hydroxynaphthalen-2-yl)-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone
PubChem CID133121038
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name(1-hydroxynaphthalen-2-yl)-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone
SMILESCN1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc3ccccc3c1O)C2
InChIInChI=1S/C19H22N2O2/c1-20-10-13-6-8-15(20)12-21(11-13)19(23)17-9-7-14-4-2-3-5-16(14)18(17)22/h2-5,7,9,13,15,22H,6,8,10-12H2,1H3/t13-,15-/m1/s1
InChIKeyFBTYEMGUMWACBU-UKRRQHHQSA-N
XLogP2.71
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(1-hydroxynaphthalene-2-carbonyl)azetidin-3-yl]acetic acid
CID 64604771
(1-hydroxynaphthalen-2-yl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62918604
(1-hydroxynaphthalen-2-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 43392987
(1-hydroxynaphthalen-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81426440
[(1S,5S)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-naphthalen-1-ylmethanone
CID 133109725
(3R)-1-(1-hydroxynaphthalene-2-carbonyl)-3-methylpiperidin-4-one
CID 129395818
1-[(1R,5S)-6-(anthracene-9-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]ethanone
CID 133130081
(2-ethylphenyl)-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone
CID 166624500
[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-(1-hydroxynaphthalen-2-yl)methanone
CID 102788284
(2-cyclopropylquinolin-4-yl)-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone
CID 135095200
1-(1-hydroxynaphthalen-2-yl)ethanone;vanadium
CID 174557605
(1-hydroxynaphthalen-2-yl)-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 111696077

Frequently Asked Questions

What is the IUPAC name of (1-hydroxynaphthalen-2-yl)-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone?
The IUPAC name of (1-hydroxynaphthalen-2-yl)-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone (CID 133121038) is (1-hydroxynaphthalen-2-yl)-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone.
What is the SMILES notation for (1-hydroxynaphthalen-2-yl)-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone?
The canonical SMILES for (1-hydroxynaphthalen-2-yl)-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone is CN1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc3ccccc3c1O)C2.
What is the InChIKey of (1-hydroxynaphthalen-2-yl)-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone?
The InChIKey is FBTYEMGUMWACBU-UKRRQHHQSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-20-10-13-6-8-15(20)12-21(11-13)19(23)17-9-7-14-4-2-3-5-16(14)18(17)22/h2-5,7,9,13,15,22H,6,8,10-12H2,1H3/t13-,15-/m1/s1.
What are the key properties of (1-hydroxynaphthalen-2-yl)-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone?
(1-hydroxynaphthalen-2-yl)-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone has a molecular weight of 310.40 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxynaphthalen-2-yl)-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone is sourced from PubChem (CID 133121038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).