2-[2-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenoxy]acetamide;hydrochloride

C16H22ClN3O3 — CID 119639113

IUPAC2-[2-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenoxy]acetamide;hydrochloride
SMILESCl.NC(=O)COc1ccccc1C(=O)N1CCC2CCC(C1)N2
InChIInChI=1S/C16H21N3O3.ClH/c17-15(20)10-22-14-4-2-1-3-13(14)16(21)19-8-7-11-5-6-12(9-19)18-11;/h1-4,11-12,18H,5-10H2,(H2,17,20);1H
InChIKeyWFWDVBWUHQZNQT-UHFFFAOYSA-N
MW339.82 g/mol
LogP0.94
Rot. Bonds4

About 2-[2-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenoxy]acetamide;hydrochloride

2-[2-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenoxy]acetamide;hydrochloride (PubChem CID 119639113) has the molecular formula C16H22ClN3O3 and a molecular weight of 339.82 g/mol. Its IUPAC name is 2-[2-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenoxy]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[2-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenoxy]acetamide;hydrochloride
PubChem CID119639113
Molecular FormulaC16H22ClN3O3
Molecular Weight339.82 g/mol
Exact Mass339.13
IUPAC Name2-[2-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenoxy]acetamide;hydrochloride
SMILESCl.NC(=O)COc1ccccc1C(=O)N1CCC2CCC(C1)N2
InChIInChI=1S/C16H21N3O3.ClH/c17-15(20)10-22-14-4-2-1-3-13(14)16(21)19-8-7-11-5-6-12(9-19)18-11;/h1-4,11-12,18H,5-10H2,(H2,17,20);1H
InChIKeyWFWDVBWUHQZNQT-UHFFFAOYSA-N
XLogP0.94
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2-chlorophenyl)methoxy]phenyl]-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride
CID 119638428
3,9-diazabicyclo[4.2.1]nonan-3-yl-[2-(difluoromethoxy)phenyl]methanone
CID 81486182
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(2-ethylphenoxy)ethanone;hydrochloride
CID 119635472
3,9-diazabicyclo[4.2.1]nonan-3-yl(naphthalen-1-yl)methanone;hydrochloride
CID 119636847
2-[2-(4-phenylmethoxypiperidine-1-carbonyl)phenoxy]acetamide
CID 120660781
2-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenoxy]acetamide
CID 119625161
(2-benzylphenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 119637270
(2-anilinophenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 119635435
2-[2-[3-(aminomethyl)-3-hydroxyazetidine-1-carbonyl]phenoxy]acetamide
CID 167850088
3,9-diazabicyclo[4.2.1]nonan-3-yl-(2,3-dichlorophenyl)methanone;hydrochloride
CID 119634833
3,9-diazabicyclo[4.2.1]nonan-3-yl-(2-nitrophenyl)methanone
CID 81485768
3,9-diazabicyclo[4.2.1]nonan-3-yl-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone;hydrochloride
CID 119636698

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenoxy]acetamide;hydrochloride?
The IUPAC name of 2-[2-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenoxy]acetamide;hydrochloride (CID 119639113) is 2-[2-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenoxy]acetamide;hydrochloride.
What is the SMILES notation for 2-[2-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenoxy]acetamide;hydrochloride?
The canonical SMILES for 2-[2-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenoxy]acetamide;hydrochloride is Cl.NC(=O)COc1ccccc1C(=O)N1CCC2CCC(C1)N2.
What is the InChIKey of 2-[2-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenoxy]acetamide;hydrochloride?
The InChIKey is WFWDVBWUHQZNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3.ClH/c17-15(20)10-22-14-4-2-1-3-13(14)16(21)19-8-7-11-5-6-12(9-19)18-11;/h1-4,11-12,18H,5-10H2,(H2,17,20);1H.
What are the key properties of 2-[2-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenoxy]acetamide;hydrochloride?
2-[2-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenoxy]acetamide;hydrochloride has a molecular weight of 339.82 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenoxy]acetamide;hydrochloride is sourced from PubChem (CID 119639113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).