3-methoxy-N-(2-methylpiperidin-3-yl)-4-prop-2-enoxybenzamide;hydrochloride

C17H25ClN2O3 — CID 120574220

IUPAC3-methoxy-N-(2-methylpiperidin-3-yl)-4-prop-2-enoxybenzamide;hydrochloride
SMILESC=CCOc1ccc(C(=O)NC2CCCNC2C)cc1OC.Cl
InChIInChI=1S/C17H24N2O3.ClH/c1-4-10-22-15-8-7-13(11-16(15)21-3)17(20)19-14-6-5-9-18-12(14)2;/h4,7-8,11-12,14,18H,1,5-6,9-10H2,2-3H3,(H,19,20);1H
InChIKeyMNOGGASZSXFXBX-UHFFFAOYSA-N
MW340.85 g/mol
LogP2.55
Rot. Bonds6

About 3-methoxy-N-(2-methylpiperidin-3-yl)-4-prop-2-enoxybenzamide;hydrochloride

3-methoxy-N-(2-methylpiperidin-3-yl)-4-prop-2-enoxybenzamide;hydrochloride (PubChem CID 120574220) has the molecular formula C17H25ClN2O3 and a molecular weight of 340.85 g/mol. Its IUPAC name is 3-methoxy-N-(2-methylpiperidin-3-yl)-4-prop-2-enoxybenzamide;hydrochloride.

Molecular Properties

Compound Name3-methoxy-N-(2-methylpiperidin-3-yl)-4-prop-2-enoxybenzamide;hydrochloride
PubChem CID120574220
Molecular FormulaC17H25ClN2O3
Molecular Weight340.85 g/mol
Exact Mass340.16
IUPAC Name3-methoxy-N-(2-methylpiperidin-3-yl)-4-prop-2-enoxybenzamide;hydrochloride
SMILESC=CCOc1ccc(C(=O)NC2CCCNC2C)cc1OC.Cl
InChIInChI=1S/C17H24N2O3.ClH/c1-4-10-22-15-8-7-13(11-16(15)21-3)17(20)19-14-6-5-9-18-12(14)2;/h4,7-8,11-12,14,18H,1,5-6,9-10H2,2-3H3,(H,19,20);1H
InChIKeyMNOGGASZSXFXBX-UHFFFAOYSA-N
XLogP2.55
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-(2-methylpiperidin-3-yl)-4-propan-2-yloxybenzamide
CID 120573745
3-bromo-4-methoxy-N-(2-methylpiperidin-3-yl)benzamide
CID 114694855
4-bromo-3,5-dimethoxy-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120573672
N-(2-methylpiperidin-3-yl)-2-prop-2-enoxy-5-(trifluoromethyl)benzamide
CID 120577557
4-methoxy-N-(2-methylpiperidin-3-yl)-3-(methylsulfamoyl)benzamide
CID 120577876
4-ethoxy-N-(2-methylpiperidin-3-yl)-3-nitrobenzamide;hydrochloride
CID 120577814
2-fluoro-4,5-dimethoxy-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120576347
3-methoxy-N-(2-piperidin-3-ylethyl)-4-prop-2-enoxybenzamide;hydrochloride
CID 119558587
4-(3-methoxypropoxy)-N-(2-methylpiperidin-3-yl)benzamide
CID 120575755
4-(cyclopropylmethoxy)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120574690
3-methoxy-N-[(1S,3R)-1-oxothiolan-3-yl]-4-prop-2-enoxybenzamide
CID 96521359
3-bromo-4-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120575414

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(2-methylpiperidin-3-yl)-4-prop-2-enoxybenzamide;hydrochloride?
The IUPAC name of 3-methoxy-N-(2-methylpiperidin-3-yl)-4-prop-2-enoxybenzamide;hydrochloride (CID 120574220) is 3-methoxy-N-(2-methylpiperidin-3-yl)-4-prop-2-enoxybenzamide;hydrochloride.
What is the SMILES notation for 3-methoxy-N-(2-methylpiperidin-3-yl)-4-prop-2-enoxybenzamide;hydrochloride?
The canonical SMILES for 3-methoxy-N-(2-methylpiperidin-3-yl)-4-prop-2-enoxybenzamide;hydrochloride is C=CCOc1ccc(C(=O)NC2CCCNC2C)cc1OC.Cl.
What is the InChIKey of 3-methoxy-N-(2-methylpiperidin-3-yl)-4-prop-2-enoxybenzamide;hydrochloride?
The InChIKey is MNOGGASZSXFXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3.ClH/c1-4-10-22-15-8-7-13(11-16(15)21-3)17(20)19-14-6-5-9-18-12(14)2;/h4,7-8,11-12,14,18H,1,5-6,9-10H2,2-3H3,(H,19,20);1H.
What are the key properties of 3-methoxy-N-(2-methylpiperidin-3-yl)-4-prop-2-enoxybenzamide;hydrochloride?
3-methoxy-N-(2-methylpiperidin-3-yl)-4-prop-2-enoxybenzamide;hydrochloride has a molecular weight of 340.85 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(2-methylpiperidin-3-yl)-4-prop-2-enoxybenzamide;hydrochloride is sourced from PubChem (CID 120574220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).