3,4-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride

C16H25ClN2O3 — CID 119557335

IUPAC3,4-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
SMILESCOc1ccc(C(=O)NCCC2CCCNC2)cc1OC.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-20-14-6-5-13(10-15(14)21-2)16(19)18-9-7-12-4-3-8-17-11-12;/h5-6,10,12,17H,3-4,7-9,11H2,1-2H3,(H,18,19);1H
InChIKeyFYFTWLHVMJCVPM-UHFFFAOYSA-N
MW328.84 g/mol
LogP2.25
Rot. Bonds6

About 3,4-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride

3,4-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride (PubChem CID 119557335) has the molecular formula C16H25ClN2O3 and a molecular weight of 328.84 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3,4-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
PubChem CID119557335
Molecular FormulaC16H25ClN2O3
Molecular Weight328.84 g/mol
Exact Mass328.16
IUPAC Name3,4-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
SMILESCOc1ccc(C(=O)NCCC2CCCNC2)cc1OC.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-20-14-6-5-13(10-15(14)21-2)16(19)18-9-7-12-4-3-8-17-11-12;/h5-6,10,12,17H,3-4,7-9,11H2,1-2H3,(H,18,19);1H
InChIKeyFYFTWLHVMJCVPM-UHFFFAOYSA-N
XLogP2.25
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-(2-piperidin-3-ylethyl)-4-prop-2-enoxybenzamide;hydrochloride
CID 119558587
3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-(2-piperidin-3-ylethyl)benzamide
CID 119558647
N-(2-piperidin-3-ylethyl)-3,4-dipropoxybenzamide;hydrochloride
CID 119558696
4-methoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556793
3-methoxy-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63624894
3-methoxy-4-prop-2-enoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119537216
3-(difluoromethoxy)-4-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119534962
2-fluoro-4,5-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555478
4-ethoxy-3-methoxy-N-(piperidin-3-ylmethyl)benzamide
CID 119461700
3-fluoro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556963
3-(methanesulfonamido)-4,5-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556011
4-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554925

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
The IUPAC name of 3,4-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride (CID 119557335) is 3,4-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 3,4-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 3,4-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride is COc1ccc(C(=O)NCCC2CCCNC2)cc1OC.Cl.
What is the InChIKey of 3,4-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
The InChIKey is FYFTWLHVMJCVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3.ClH/c1-20-14-6-5-13(10-15(14)21-2)16(19)18-9-7-12-4-3-8-17-11-12;/h5-6,10,12,17H,3-4,7-9,11H2,1-2H3,(H,18,19);1H.
What are the key properties of 3,4-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
3,4-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride has a molecular weight of 328.84 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 119557335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).