N-(8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethoxybenzamide;hydrochloride

C16H23ClN2O3 — CID 119455135

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethoxybenzamide;hydrochloride
SMILESCOc1cc(OC)cc(C(=O)NC2CC3CCC(C2)N3)c1.Cl
InChIInChI=1S/C16H22N2O3.ClH/c1-20-14-5-10(6-15(9-14)21-2)16(19)18-13-7-11-3-4-12(8-13)17-11;/h5-6,9,11-13,17H,3-4,7-8H2,1-2H3,(H,18,19);1H
InChIKeyIRBKQDIDLJARRU-UHFFFAOYSA-N
MW326.82 g/mol
LogP2.14
Rot. Bonds4

About N-(8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethoxybenzamide;hydrochloride

N-(8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethoxybenzamide;hydrochloride (PubChem CID 119455135) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethoxybenzamide;hydrochloride
PubChem CID119455135
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethoxybenzamide;hydrochloride
SMILESCOc1cc(OC)cc(C(=O)NC2CC3CCC(C2)N3)c1.Cl
InChIInChI=1S/C16H22N2O3.ClH/c1-20-14-5-10(6-15(9-14)21-2)16(19)18-13-7-11-3-4-12(8-13)17-11;/h5-6,9,11-13,17H,3-4,7-8H2,1-2H3,(H,18,19);1H
InChIKeyIRBKQDIDLJARRU-UHFFFAOYSA-N
XLogP2.14
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-4-methoxybenzamide;hydrochloride
CID 119456903
N-cyclopentyl-3,5-dimethoxybenzamide
CID 2303723
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,4,5-trimethoxybenzamide;hydrochloride
CID 119457267
3,5-dimethoxy-N-piperidin-3-ylbenzamide;hydrochloride
CID 119424226
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-3-methoxybenzamide
CID 81285092
N-(8-azabicyclo[3.2.1]octan-3-yl)-4,5-dimethoxy-2-methylbenzamide;hydrochloride
CID 119458491
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(difluoromethoxy)benzamide;hydrochloride
CID 119455893
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-butoxybenzamide;hydrochloride
CID 119456286
N-(8-azabicyclo[3.2.1]octan-3-yl)-7-methoxy-2-methylquinoline-3-carboxamide;hydrochloride
CID 119455175
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119459681
N-(8-azabicyclo[3.2.1]octan-3-yl)-4,5-dichloro-2-methoxybenzamide
CID 119457942
3-acetamido-N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(trifluoromethyl)benzamide;hydrochloride
CID 119457403

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethoxybenzamide;hydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethoxybenzamide;hydrochloride (CID 119455135) is N-(8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethoxybenzamide;hydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethoxybenzamide;hydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethoxybenzamide;hydrochloride is COc1cc(OC)cc(C(=O)NC2CC3CCC(C2)N3)c1.Cl.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethoxybenzamide;hydrochloride?
The InChIKey is IRBKQDIDLJARRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3.ClH/c1-20-14-5-10(6-15(9-14)21-2)16(19)18-13-7-11-3-4-12(8-13)17-11;/h5-6,9,11-13,17H,3-4,7-8H2,1-2H3,(H,18,19);1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethoxybenzamide;hydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethoxybenzamide;hydrochloride has a molecular weight of 326.82 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethoxybenzamide;hydrochloride is sourced from PubChem (CID 119455135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).