3-methoxy-N-(2-piperidin-3-ylethyl)-4-prop-2-enoxybenzamide;hydrochloride

C18H27ClN2O3 — CID 119558587

IUPAC3-methoxy-N-(2-piperidin-3-ylethyl)-4-prop-2-enoxybenzamide;hydrochloride
SMILESC=CCOc1ccc(C(=O)NCCC2CCCNC2)cc1OC.Cl
InChIInChI=1S/C18H26N2O3.ClH/c1-3-11-23-16-7-6-15(12-17(16)22-2)18(21)20-10-8-14-5-4-9-19-13-14;/h3,6-7,12,14,19H,1,4-5,8-11,13H2,2H3,(H,20,21);1H
InChIKeyUKUOAQVTUGIDIY-UHFFFAOYSA-N
MW354.88 g/mol
LogP2.80
Rot. Bonds8

About 3-methoxy-N-(2-piperidin-3-ylethyl)-4-prop-2-enoxybenzamide;hydrochloride

3-methoxy-N-(2-piperidin-3-ylethyl)-4-prop-2-enoxybenzamide;hydrochloride (PubChem CID 119558587) has the molecular formula C18H27ClN2O3 and a molecular weight of 354.88 g/mol. Its IUPAC name is 3-methoxy-N-(2-piperidin-3-ylethyl)-4-prop-2-enoxybenzamide;hydrochloride.

Molecular Properties

Compound Name3-methoxy-N-(2-piperidin-3-ylethyl)-4-prop-2-enoxybenzamide;hydrochloride
PubChem CID119558587
Molecular FormulaC18H27ClN2O3
Molecular Weight354.88 g/mol
Exact Mass354.17
IUPAC Name3-methoxy-N-(2-piperidin-3-ylethyl)-4-prop-2-enoxybenzamide;hydrochloride
SMILESC=CCOc1ccc(C(=O)NCCC2CCCNC2)cc1OC.Cl
InChIInChI=1S/C18H26N2O3.ClH/c1-3-11-23-16-7-6-15(12-17(16)22-2)18(21)20-10-8-14-5-4-9-19-13-14;/h3,6-7,12,14,19H,1,4-5,8-11,13H2,2H3,(H,20,21);1H
InChIKeyUKUOAQVTUGIDIY-UHFFFAOYSA-N
XLogP2.80
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-methoxy-N-(2-piperidin-3-ylethyl)-4-prop-2-enoxybenzamide;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-methoxy-4-prop-2-enoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119537216
3,4-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119557335
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
N-(2-piperidin-3-ylethyl)-2-prop-2-enoxybenzamide;hydrochloride
CID 119559291
4-methoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556793
3-methoxy-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63624894
4-ethoxy-3-methoxy-N-(piperidin-3-ylmethyl)benzamide
CID 119461700
2-fluoro-4,5-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555478
3-methoxy-N-[2-(methylamino)ethyl]-4-prop-2-enoxybenzamide;hydrochloride
CID 119503473
3-fluoro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556963
3-(difluoromethoxy)-4-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119534962

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(2-piperidin-3-ylethyl)-4-prop-2-enoxybenzamide;hydrochloride?
The IUPAC name of 3-methoxy-N-(2-piperidin-3-ylethyl)-4-prop-2-enoxybenzamide;hydrochloride (CID 119558587) is 3-methoxy-N-(2-piperidin-3-ylethyl)-4-prop-2-enoxybenzamide;hydrochloride.
What is the SMILES notation for 3-methoxy-N-(2-piperidin-3-ylethyl)-4-prop-2-enoxybenzamide;hydrochloride?
The canonical SMILES for 3-methoxy-N-(2-piperidin-3-ylethyl)-4-prop-2-enoxybenzamide;hydrochloride is C=CCOc1ccc(C(=O)NCCC2CCCNC2)cc1OC.Cl.
What is the InChIKey of 3-methoxy-N-(2-piperidin-3-ylethyl)-4-prop-2-enoxybenzamide;hydrochloride?
The InChIKey is UKUOAQVTUGIDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3.ClH/c1-3-11-23-16-7-6-15(12-17(16)22-2)18(21)20-10-8-14-5-4-9-19-13-14;/h3,6-7,12,14,19H,1,4-5,8-11,13H2,2H3,(H,20,21);1H.
What are the key properties of 3-methoxy-N-(2-piperidin-3-ylethyl)-4-prop-2-enoxybenzamide;hydrochloride?
3-methoxy-N-(2-piperidin-3-ylethyl)-4-prop-2-enoxybenzamide;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(2-piperidin-3-ylethyl)-4-prop-2-enoxybenzamide;hydrochloride is sourced from PubChem (CID 119558587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).