(E)-3-(3-methoxyphenyl)-N-(2-piperidin-1-ylphenyl)prop-2-enamide

C21H24N2O2 — CID 7550935

IUPAC(E)-3-(3-methoxyphenyl)-N-(2-piperidin-1-ylphenyl)prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)Nc2ccccc2N2CCCCC2)c1
InChIInChI=1S/C21H24N2O2/c1-25-18-9-7-8-17(16-18)12-13-21(24)22-19-10-3-4-11-20(19)23-14-5-2-6-15-23/h3-4,7-13,16H,2,5-6,14-15H2,1H3,(H,22,24)/b13-12+
InChIKeyDBQBAUVTDXTFLA-OUKQBFOZSA-N
MW336.44 g/mol
LogP4.34
Rot. Bonds5

About (E)-3-(3-methoxyphenyl)-N-(2-piperidin-1-ylphenyl)prop-2-enamide

(E)-3-(3-methoxyphenyl)-N-(2-piperidin-1-ylphenyl)prop-2-enamide (PubChem CID 7550935) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is (E)-3-(3-methoxyphenyl)-N-(2-piperidin-1-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-methoxyphenyl)-N-(2-piperidin-1-ylphenyl)prop-2-enamide
PubChem CID7550935
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name(E)-3-(3-methoxyphenyl)-N-(2-piperidin-1-ylphenyl)prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)Nc2ccccc2N2CCCCC2)c1
InChIInChI=1S/C21H24N2O2/c1-25-18-9-7-8-17(16-18)12-13-21(24)22-19-10-3-4-11-20(19)23-14-5-2-6-15-23/h3-4,7-13,16H,2,5-6,14-15H2,1H3,(H,22,24)/b13-12+
InChIKeyDBQBAUVTDXTFLA-OUKQBFOZSA-N
XLogP4.34
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-methoxyphenyl)-N-(2-piperidin-1-ylphenyl)prop-2-enamide
CID 26520222
(E)-N-(2-aminophenyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 28867841
3-(3-methoxy-4-propan-2-yloxyphenyl)-N-(2-pyrrolidin-1-ylphenyl)prop-2-enamide
CID 74853242
3-(3-methylphenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide
CID 75618828
2-hydroxy-5-methoxy-N-(2-piperidin-1-ylphenyl)benzamide
CID 112809580
(E)-N-(2,4-difluorophenyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 2678857
(E)-3-phenyl-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]prop-2-enamide
CID 1300388
(E)-3-(3-methoxyphenyl)-N-[3-(piperidin-1-ylmethyl)phenyl]prop-2-enamide
CID 34455096
(E)-3-(3-methoxyphenyl)-N-[2-(trifluoromethoxy)phenyl]prop-2-enamide
CID 16572166
(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-pyrrolidin-1-ylphenyl)prop-2-enamide
CID 16557729
(E)-3-(3-methoxyphenyl)-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 7926226
3-(4-chloro-3-nitrophenyl)-N-(2-piperidin-1-ylphenyl)prop-2-enamide
CID 1302629

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-methoxyphenyl)-N-(2-piperidin-1-ylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-methoxyphenyl)-N-(2-piperidin-1-ylphenyl)prop-2-enamide (CID 7550935) is (E)-3-(3-methoxyphenyl)-N-(2-piperidin-1-ylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-methoxyphenyl)-N-(2-piperidin-1-ylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-methoxyphenyl)-N-(2-piperidin-1-ylphenyl)prop-2-enamide is COc1cccc(/C=C/C(=O)Nc2ccccc2N2CCCCC2)c1.
What is the InChIKey of (E)-3-(3-methoxyphenyl)-N-(2-piperidin-1-ylphenyl)prop-2-enamide?
The InChIKey is DBQBAUVTDXTFLA-OUKQBFOZSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-25-18-9-7-8-17(16-18)12-13-21(24)22-19-10-3-4-11-20(19)23-14-5-2-6-15-23/h3-4,7-13,16H,2,5-6,14-15H2,1H3,(H,22,24)/b13-12+.
What are the key properties of (E)-3-(3-methoxyphenyl)-N-(2-piperidin-1-ylphenyl)prop-2-enamide?
(E)-3-(3-methoxyphenyl)-N-(2-piperidin-1-ylphenyl)prop-2-enamide has a molecular weight of 336.44 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-methoxyphenyl)-N-(2-piperidin-1-ylphenyl)prop-2-enamide is sourced from PubChem (CID 7550935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).