3-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)benzamide;hydrochloride

C15H22ClN3O — CID 119927575

IUPAC3-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)benzamide;hydrochloride
SMILESCl.NC(=O)c1cccc(CN2CCC3CCC(C2)N3)c1
InChIInChI=1S/C15H21N3O.ClH/c16-15(19)12-3-1-2-11(8-12)9-18-7-6-13-4-5-14(10-18)17-13;/h1-3,8,13-14,17H,4-7,9-10H2,(H2,16,19);1H
InChIKeyYLBPKQAHLQEDTF-UHFFFAOYSA-N
MW295.81 g/mol
LogP1.53
Rot. Bonds3

About 3-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)benzamide;hydrochloride

3-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)benzamide;hydrochloride (PubChem CID 119927575) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 3-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)benzamide;hydrochloride
PubChem CID119927575
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name3-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)benzamide;hydrochloride
SMILESCl.NC(=O)c1cccc(CN2CCC3CCC(C2)N3)c1
InChIInChI=1S/C15H21N3O.ClH/c16-15(19)12-3-1-2-11(8-12)9-18-7-6-13-4-5-14(10-18)17-13;/h1-3,8,13-14,17H,4-7,9-10H2,(H2,16,19);1H
InChIKeyYLBPKQAHLQEDTF-UHFFFAOYSA-N
XLogP1.53
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)benzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3-aminopyrrolidin-1-yl)methyl]benzamide;hydrochloride
CID 119917602
3-[(3-chlorophenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119927254
3,9-diazabicyclo[4.2.1]nonan-3-yl-[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]methanone;dihydrochloride
CID 119638178
3-(1,4-diazepan-1-ylmethyl)benzamide;hydrochloride
CID 119906487
3-[(3-formylpiperidin-1-yl)methyl]benzamide
CID 62656741
3-[[3-(1-aminoethyl)piperidin-1-yl]methyl]benzamide;hydrochloride
CID 119925700
3-[(3,4-dichlorophenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119927603
1-[3-(3,6-diazabicyclo[3.1.1]heptan-3-ylmethyl)phenyl]ethanone
CID 84793801
3-[(3-pyrazol-1-ylazetidin-1-yl)methyl]benzamide
CID 154743427
3-[(3-hydroxypyrrolidin-1-yl)methyl]benzenecarbothioamide
CID 62941703
3-[[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]methyl]benzamide
CID 154744472
3-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]benzamide
CID 102935603

Frequently Asked Questions

What is the IUPAC name of 3-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)benzamide;hydrochloride?
The IUPAC name of 3-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)benzamide;hydrochloride (CID 119927575) is 3-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for 3-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for 3-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)benzamide;hydrochloride is Cl.NC(=O)c1cccc(CN2CCC3CCC(C2)N3)c1.
What is the InChIKey of 3-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)benzamide;hydrochloride?
The InChIKey is YLBPKQAHLQEDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O.ClH/c16-15(19)12-3-1-2-11(8-12)9-18-7-6-13-4-5-14(10-18)17-13;/h1-3,8,13-14,17H,4-7,9-10H2,(H2,16,19);1H.
What are the key properties of 3-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)benzamide;hydrochloride?
3-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)benzamide;hydrochloride has a molecular weight of 295.81 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 119927575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).