3-(1,3-benzodioxol-5-yl)-N-methyl-N-piperidin-3-ylprop-2-enamide

C16H20N2O3 — CID 77003154

IUPAC3-(1,3-benzodioxol-5-yl)-N-methyl-N-piperidin-3-ylprop-2-enamide
SMILESCN(C(=O)C=Cc1ccc2c(c1)OCO2)C1CCCNC1
InChIInChI=1S/C16H20N2O3/c1-18(13-3-2-8-17-10-13)16(19)7-5-12-4-6-14-15(9-12)21-11-20-14/h4-7,9,13,17H,2-3,8,10-11H2,1H3
InChIKeyUYPCZSWIOAHOOG-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.64
Rot. Bonds3

About 3-(1,3-benzodioxol-5-yl)-N-methyl-N-piperidin-3-ylprop-2-enamide

3-(1,3-benzodioxol-5-yl)-N-methyl-N-piperidin-3-ylprop-2-enamide (PubChem CID 77003154) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-N-methyl-N-piperidin-3-ylprop-2-enamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-N-methyl-N-piperidin-3-ylprop-2-enamide
PubChem CID77003154
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name3-(1,3-benzodioxol-5-yl)-N-methyl-N-piperidin-3-ylprop-2-enamide
SMILESCN(C(=O)C=Cc1ccc2c(c1)OCO2)C1CCCNC1
InChIInChI=1S/C16H20N2O3/c1-18(13-3-2-8-17-10-13)16(19)7-5-12-4-6-14-15(9-12)21-11-20-14/h4-7,9,13,17H,2-3,8,10-11H2,1H3
InChIKeyUYPCZSWIOAHOOG-UHFFFAOYSA-N
XLogP1.64
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(1,3-benzodioxol-5-yl)-N-methyl-N-pyrrolidin-3-ylprop-2-enamide
CID 76994725
(E)-3-(1,3-benzodioxol-5-yl)-N-cycloheptyl-N-methylprop-2-enamide
CID 51287153
(E)-3-(1,3-benzodioxol-5-yl)-N-methyl-N-(4-methylcyclohexyl)prop-2-enamide
CID 32915720
(E)-3-(1,3-benzodioxol-5-yl)-N-[1-(cyclopropylmethyl)piperidin-3-yl]-N-methylprop-2-enamide
CID 10134287
(E)-3-(1,3-benzodioxol-5-yl)-N-methyl-N-(1-pentan-3-ylpyrrolidin-3-yl)prop-2-enamide;hydrochloride
CID 10271174
(Z)-4-(1,3-benzodioxol-5-yl)but-3-en-2-one
CID 5385558
N-methyl-N-piperidin-3-ylhexa-2,4-dienamide
CID 77003180
(2E)-5-(1,3-benzodioxol-5-yl)-N,N-dicyclohexylpenta-2,4-dienamide
CID 88780505
(E)-3-(1,3-benzodioxol-5-yl)-N-[2-(dimethylamino)ethyl]-N-(oxan-4-yl)prop-2-enamide
CID 90607056
methyl 2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-methylamino]acetate
CID 43407445
(E)-3-(1,3-benzodioxol-5-yl)-N-[2-(dimethylamino)ethyl]-N-(4-methylcyclohexyl)prop-2-enamide;hydrochloride
CID 19004615
3-amino-4-[3-(1,3-benzodioxol-5-yl)prop-2-enoyl]azepan-2-one
CID 150934378

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-methyl-N-piperidin-3-ylprop-2-enamide?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-methyl-N-piperidin-3-ylprop-2-enamide (CID 77003154) is 3-(1,3-benzodioxol-5-yl)-N-methyl-N-piperidin-3-ylprop-2-enamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-N-methyl-N-piperidin-3-ylprop-2-enamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-N-methyl-N-piperidin-3-ylprop-2-enamide is CN(C(=O)C=Cc1ccc2c(c1)OCO2)C1CCCNC1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-N-methyl-N-piperidin-3-ylprop-2-enamide?
The InChIKey is UYPCZSWIOAHOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-18(13-3-2-8-17-10-13)16(19)7-5-12-4-6-14-15(9-12)21-11-20-14/h4-7,9,13,17H,2-3,8,10-11H2,1H3.
What are the key properties of 3-(1,3-benzodioxol-5-yl)-N-methyl-N-piperidin-3-ylprop-2-enamide?
3-(1,3-benzodioxol-5-yl)-N-methyl-N-piperidin-3-ylprop-2-enamide has a molecular weight of 288.35 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-N-methyl-N-piperidin-3-ylprop-2-enamide is sourced from PubChem (CID 77003154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).