N-(2-piperidin-3-ylethyl)-2-prop-2-enoxybenzamide;hydrochloride

C17H25ClN2O2 — CID 119559291

IUPACN-(2-piperidin-3-ylethyl)-2-prop-2-enoxybenzamide;hydrochloride
SMILESC=CCOc1ccccc1C(=O)NCCC1CCCNC1.Cl
InChIInChI=1S/C17H24N2O2.ClH/c1-2-12-21-16-8-4-3-7-15(16)17(20)19-11-9-14-6-5-10-18-13-14;/h2-4,7-8,14,18H,1,5-6,9-13H2,(H,19,20);1H
InChIKeyGUYDIVXFQNEERM-UHFFFAOYSA-N
MW324.85 g/mol
LogP2.79
Rot. Bonds7

About N-(2-piperidin-3-ylethyl)-2-prop-2-enoxybenzamide;hydrochloride

N-(2-piperidin-3-ylethyl)-2-prop-2-enoxybenzamide;hydrochloride (PubChem CID 119559291) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is N-(2-piperidin-3-ylethyl)-2-prop-2-enoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-piperidin-3-ylethyl)-2-prop-2-enoxybenzamide;hydrochloride
PubChem CID119559291
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC NameN-(2-piperidin-3-ylethyl)-2-prop-2-enoxybenzamide;hydrochloride
SMILESC=CCOc1ccccc1C(=O)NCCC1CCCNC1.Cl
InChIInChI=1S/C17H24N2O2.ClH/c1-2-12-21-16-8-4-3-7-15(16)17(20)19-11-9-14-6-5-10-18-13-14;/h2-4,7-8,14,18H,1,5-6,9-13H2,(H,19,20);1H
InChIKeyGUYDIVXFQNEERM-UHFFFAOYSA-N
XLogP2.79
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-N-(2-piperidin-3-ylethyl)-4-prop-2-enoxybenzamide;hydrochloride
CID 119558587
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119557947
N-(2-piperidin-3-ylethyl)-2-(trifluoromethyl)benzamide
CID 60895336
2,6-difluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554934
2-(2-phenylethyl)-N-(2-piperidin-3-ylethyl)benzamide
CID 119557940
2,4-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide
CID 60894812
3-methoxy-4-prop-2-enoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119537216
2-(2-methoxyphenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 60895170
3,4-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119557335
N-(4-aminocyclohexyl)-2-prop-2-enoxybenzamide;hydrochloride
CID 119478882
4-bromo-N-(2-piperidin-3-ylethyl)-2-propan-2-yloxybenzamide;hydrochloride
CID 119555844
2-ethoxy-N-[4-oxo-4-(piperidin-3-ylamino)butyl]benzamide;hydrochloride
CID 119426258

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-3-ylethyl)-2-prop-2-enoxybenzamide;hydrochloride?
The IUPAC name of N-(2-piperidin-3-ylethyl)-2-prop-2-enoxybenzamide;hydrochloride (CID 119559291) is N-(2-piperidin-3-ylethyl)-2-prop-2-enoxybenzamide;hydrochloride.
What is the SMILES notation for N-(2-piperidin-3-ylethyl)-2-prop-2-enoxybenzamide;hydrochloride?
The canonical SMILES for N-(2-piperidin-3-ylethyl)-2-prop-2-enoxybenzamide;hydrochloride is C=CCOc1ccccc1C(=O)NCCC1CCCNC1.Cl.
What is the InChIKey of N-(2-piperidin-3-ylethyl)-2-prop-2-enoxybenzamide;hydrochloride?
The InChIKey is GUYDIVXFQNEERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2.ClH/c1-2-12-21-16-8-4-3-7-15(16)17(20)19-11-9-14-6-5-10-18-13-14;/h2-4,7-8,14,18H,1,5-6,9-13H2,(H,19,20);1H.
What are the key properties of N-(2-piperidin-3-ylethyl)-2-prop-2-enoxybenzamide;hydrochloride?
N-(2-piperidin-3-ylethyl)-2-prop-2-enoxybenzamide;hydrochloride has a molecular weight of 324.85 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-3-ylethyl)-2-prop-2-enoxybenzamide;hydrochloride is sourced from PubChem (CID 119559291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).