2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide;hydrochloride

C17H26ClN3O2 — CID 119927680

IUPAC2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide;hydrochloride
SMILESCOc1ccccc1CNC(=O)CN1CCC2CCC(C1)N2.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-22-16-5-3-2-4-13(16)10-18-17(21)12-20-9-8-14-6-7-15(11-20)19-14;/h2-5,14-15,19H,6-12H2,1H3,(H,18,21);1H
InChIKeyRSXJPUPUBKXMPL-UHFFFAOYSA-N
MW339.87 g/mol
LogP1.56
Rot. Bonds5

About 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide;hydrochloride

2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide;hydrochloride (PubChem CID 119927680) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide;hydrochloride
PubChem CID119927680
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC Name2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide;hydrochloride
SMILESCOc1ccccc1CNC(=O)CN1CCC2CCC(C1)N2.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-22-16-5-3-2-4-13(16)10-18-17(21)12-20-9-8-14-6-7-15(11-20)19-14;/h2-5,14-15,19H,6-12H2,1H3,(H,18,21);1H
InChIKeyRSXJPUPUBKXMPL-UHFFFAOYSA-N
XLogP1.56
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide;hydrochloride with MolForge

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Related Compounds

N-[(2-methoxyphenyl)methyl]-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119905867
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 78963608
N-[(2-chlorophenyl)methyl]-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetamide
CID 81495926
2-(4-fluoropiperidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 171701323
N-[(2-methoxyphenyl)methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119920219
N-[(2-methoxyphenyl)methyl]-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 8903458
N-[(2-methoxyphenyl)methyl]-2-pyrrolidin-1-ylacetamide
CID 8901770
2-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 171704523
2-(azocan-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 51170947
2-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 74239322
N-[(2-methoxyphenyl)methyl]-2-(4-thiomorpholin-4-ylpiperidin-1-yl)acetamide
CID 91840853
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 119927713

Frequently Asked Questions

What is the IUPAC name of 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide;hydrochloride?
The IUPAC name of 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide;hydrochloride (CID 119927680) is 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide;hydrochloride?
The canonical SMILES for 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide;hydrochloride is COc1ccccc1CNC(=O)CN1CCC2CCC(C1)N2.Cl.
What is the InChIKey of 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide;hydrochloride?
The InChIKey is RSXJPUPUBKXMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2.ClH/c1-22-16-5-3-2-4-13(16)10-18-17(21)12-20-9-8-14-6-7-15(11-20)19-14;/h2-5,14-15,19H,6-12H2,1H3,(H,18,21);1H.
What are the key properties of 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide;hydrochloride?
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide;hydrochloride has a molecular weight of 339.87 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide;hydrochloride is sourced from PubChem (CID 119927680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).