N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-methoxy-2-methylbenzamide;hydrochloride

C16H23ClN2O2 — CID 45264928

IUPACN-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-methoxy-2-methylbenzamide;hydrochloride
SMILESCOc1cccc(C(=O)N[C@@H]2CN3CCC2CC3)c1C.Cl
InChIInChI=1S/C16H22N2O2.ClH/c1-11-13(4-3-5-15(11)20-2)16(19)17-14-10-18-8-6-12(14)7-9-18;/h3-5,12,14H,6-10H2,1-2H3,(H,17,19);1H/t14-;/m1./s1
InChIKeyCMXSEVNTUZBICH-PFEQFJNWSA-N
MW310.82 g/mol
LogP2.25
Rot. Bonds3

About N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-methoxy-2-methylbenzamide;hydrochloride

N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-methoxy-2-methylbenzamide;hydrochloride (PubChem CID 45264928) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-methoxy-2-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-methoxy-2-methylbenzamide;hydrochloride
PubChem CID45264928
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC NameN-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-methoxy-2-methylbenzamide;hydrochloride
SMILESCOc1cccc(C(=O)N[C@@H]2CN3CCC2CC3)c1C.Cl
InChIInChI=1S/C16H22N2O2.ClH/c1-11-13(4-3-5-15(11)20-2)16(19)17-14-10-18-8-6-12(14)7-9-18;/h3-5,12,14H,6-10H2,1-2H3,(H,17,19);1H/t14-;/m1./s1
InChIKeyCMXSEVNTUZBICH-PFEQFJNWSA-N
XLogP2.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-methoxy-2-methylbenzamide;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

Ebalzotan
CID 9797080
3,4-dihydro-5-(4-(1-piperidinyl)butoxy)-1(2H)-isoquinolinone
CID 9948349
2-(1-Azabicyclo[2.2.2]octan-3-yl)-5-methoxy-3,4-dihydroisoquinolin-1-one;hydrochloride
CID 18988186
2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-methoxyisoquinolin-1-one;hydrochloride
CID 22858714
3-[7-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 53353412
N,N-diethyl-4-[(3-methoxyphenyl)-(7-prop-2-enyl-2,7-diazatricyclo[4.4.0.03,8]decan-2-yl)methyl]benzamide
CID 58313465
3-Methoxy-N-piperidin-4-yl-benzamide
CID 1445157
3-methoxy-N-(4-phenylbutan-2-yl)benzamide
CID 2914414
3-methoxy-N-[2-(morpholin-4-yl)ethyl]benzamide
CID 3118713
1,11b-Dihydro-[2h]benzopyrano[4,3,2-de]isoquinolin-3-one
CID 9881187
N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-2,3-dimethoxybenzamide
CID 3068195
3-(difluoromethoxy)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzamide
CID 2105607

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-methoxy-2-methylbenzamide;hydrochloride?
The IUPAC name of N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-methoxy-2-methylbenzamide;hydrochloride (CID 45264928) is N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-methoxy-2-methylbenzamide;hydrochloride.
What is the SMILES notation for N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-methoxy-2-methylbenzamide;hydrochloride?
The canonical SMILES for N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-methoxy-2-methylbenzamide;hydrochloride is COc1cccc(C(=O)N[C@@H]2CN3CCC2CC3)c1C.Cl.
What is the InChIKey of N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-methoxy-2-methylbenzamide;hydrochloride?
The InChIKey is CMXSEVNTUZBICH-PFEQFJNWSA-N. The full InChI is InChI=1S/C16H22N2O2.ClH/c1-11-13(4-3-5-15(11)20-2)16(19)17-14-10-18-8-6-12(14)7-9-18;/h3-5,12,14H,6-10H2,1-2H3,(H,17,19);1H/t14-;/m1./s1.
What are the key properties of N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-methoxy-2-methylbenzamide;hydrochloride?
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-methoxy-2-methylbenzamide;hydrochloride has a molecular weight of 310.82 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-methoxy-2-methylbenzamide;hydrochloride is sourced from PubChem (CID 45264928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).