3,9-diazabicyclo[4.2.1]nonan-3-yl(naphthalen-1-yl)methanone;hydrochloride

C18H21ClN2O — CID 119636847

IUPAC3,9-diazabicyclo[4.2.1]nonan-3-yl(naphthalen-1-yl)methanone;hydrochloride
SMILESCl.O=C(c1cccc2ccccc12)N1CCC2CCC(C1)N2
InChIInChI=1S/C18H20N2O.ClH/c21-18(20-11-10-14-8-9-15(12-20)19-14)17-7-3-5-13-4-1-2-6-16(13)17;/h1-7,14-15,19H,8-12H2;1H
InChIKeyHXAYJOMEGDITSE-UHFFFAOYSA-N
MW316.83 g/mol
LogP3.23
Rot. Bonds1

About 3,9-diazabicyclo[4.2.1]nonan-3-yl(naphthalen-1-yl)methanone;hydrochloride

3,9-diazabicyclo[4.2.1]nonan-3-yl(naphthalen-1-yl)methanone;hydrochloride (PubChem CID 119636847) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is 3,9-diazabicyclo[4.2.1]nonan-3-yl(naphthalen-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name3,9-diazabicyclo[4.2.1]nonan-3-yl(naphthalen-1-yl)methanone;hydrochloride
PubChem CID119636847
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name3,9-diazabicyclo[4.2.1]nonan-3-yl(naphthalen-1-yl)methanone;hydrochloride
SMILESCl.O=C(c1cccc2ccccc12)N1CCC2CCC(C1)N2
InChIInChI=1S/C18H20N2O.ClH/c21-18(20-11-10-14-8-9-15(12-20)19-14)17-7-3-5-13-4-1-2-6-16(13)17;/h1-7,14-15,19H,8-12H2;1H
InChIKeyHXAYJOMEGDITSE-UHFFFAOYSA-N
XLogP3.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,9-diazabicyclo[4.2.1]nonan-3-yl(1H-indol-7-yl)methanone
CID 115313973
3,9-diazabicyclo[4.2.1]nonan-3-yl-(2,3-dichlorophenyl)methanone;hydrochloride
CID 119634833
(2-benzylphenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 119637270
(2-cyclopropylquinolin-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;dihydrochloride
CID 119636803
2-[2-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenoxy]acetamide;hydrochloride
CID 119639113
3,9-diazabicyclo[4.2.1]nonan-3-yl-(2-nitrophenyl)methanone
CID 81485768
(2-bromo-3-methylphenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 107983220
(2-anilinophenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 119635435
[1-(2-chlorobenzoyl)piperidin-4-yl]-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone;hydrochloride
CID 171686632
3,9-diazabicyclo[4.2.1]nonan-3-yl-[2-(4-methylphenyl)quinolin-4-yl]methanone;dihydrochloride
CID 119636722
(3-methylpiperidin-1-yl)-naphthalen-1-ylmethanone
CID 4284306
3,9-diazabicyclo[4.2.1]nonan-3-yl-[2-(difluoromethoxy)phenyl]methanone
CID 81486182

Frequently Asked Questions

What is the IUPAC name of 3,9-diazabicyclo[4.2.1]nonan-3-yl(naphthalen-1-yl)methanone;hydrochloride?
The IUPAC name of 3,9-diazabicyclo[4.2.1]nonan-3-yl(naphthalen-1-yl)methanone;hydrochloride (CID 119636847) is 3,9-diazabicyclo[4.2.1]nonan-3-yl(naphthalen-1-yl)methanone;hydrochloride.
What is the SMILES notation for 3,9-diazabicyclo[4.2.1]nonan-3-yl(naphthalen-1-yl)methanone;hydrochloride?
The canonical SMILES for 3,9-diazabicyclo[4.2.1]nonan-3-yl(naphthalen-1-yl)methanone;hydrochloride is Cl.O=C(c1cccc2ccccc12)N1CCC2CCC(C1)N2.
What is the InChIKey of 3,9-diazabicyclo[4.2.1]nonan-3-yl(naphthalen-1-yl)methanone;hydrochloride?
The InChIKey is HXAYJOMEGDITSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O.ClH/c21-18(20-11-10-14-8-9-15(12-20)19-14)17-7-3-5-13-4-1-2-6-16(13)17;/h1-7,14-15,19H,8-12H2;1H.
What are the key properties of 3,9-diazabicyclo[4.2.1]nonan-3-yl(naphthalen-1-yl)methanone;hydrochloride?
3,9-diazabicyclo[4.2.1]nonan-3-yl(naphthalen-1-yl)methanone;hydrochloride has a molecular weight of 316.83 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-diazabicyclo[4.2.1]nonan-3-yl(naphthalen-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119636847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).