(E)-3-(3-methoxyphenyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]prop-2-enamide

C23H28N2O2 — CID 38740186

IUPAC(E)-3-(3-methoxyphenyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)NCc2ccccc2CN2CCCCC2)c1
InChIInChI=1S/C23H28N2O2/c1-27-22-11-7-8-19(16-22)12-13-23(26)24-17-20-9-3-4-10-21(20)18-25-14-5-2-6-15-25/h3-4,7-13,16H,2,5-6,14-15,17-18H2,1H3,(H,24,26)/b13-12+
InChIKeyRIGJQQBLVDOLKP-OUKQBFOZSA-N
MW364.49 g/mol
LogP4.01
Rot. Bonds7

About (E)-3-(3-methoxyphenyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]prop-2-enamide

(E)-3-(3-methoxyphenyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]prop-2-enamide (PubChem CID 38740186) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is (E)-3-(3-methoxyphenyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-methoxyphenyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]prop-2-enamide
PubChem CID38740186
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name(E)-3-(3-methoxyphenyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)NCc2ccccc2CN2CCCCC2)c1
InChIInChI=1S/C23H28N2O2/c1-27-22-11-7-8-19(16-22)12-13-23(26)24-17-20-9-3-4-10-21(20)18-25-14-5-2-6-15-25/h3-4,7-13,16H,2,5-6,14-15,17-18H2,1H3,(H,24,26)/b13-12+
InChIKeyRIGJQQBLVDOLKP-OUKQBFOZSA-N
XLogP4.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.01
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-ylmethyl)phenyl]methyl]prop-2-enamide
CID 38740120
(E)-3-(3-methoxyphenyl)-N-(4-pyrrolidin-1-ylbutyl)prop-2-enamide
CID 27397147
(E)-3-(3-methoxyphenyl)-N-[3-(piperidin-1-ylmethyl)phenyl]prop-2-enamide
CID 34455096
(E)-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-(3-fluorophenyl)prop-2-enamide
CID 98732284
(E)-3-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 7772448
(E)-N-[[2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]-3-phenylprop-2-enamide
CID 11826347
N-[3-[[3-(3-methoxyphenyl)prop-2-enoylamino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 55864061
(E)-3-(5-methylthiophen-2-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]prop-2-enamide
CID 8969652
(E)-3-(3-chlorophenyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]prop-2-enamide
CID 9481219
4-[[3-(3-methoxyphenyl)prop-2-enoylamino]methyl]benzoic acid
CID 67079345
(E)-3-(2-fluorophenyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]prop-2-enamide
CID 8969489
(E)-3-(3-methoxyphenyl)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 49008882

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-methoxyphenyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]prop-2-enamide?
The IUPAC name of (E)-3-(3-methoxyphenyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]prop-2-enamide (CID 38740186) is (E)-3-(3-methoxyphenyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3-methoxyphenyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3-methoxyphenyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]prop-2-enamide is COc1cccc(/C=C/C(=O)NCc2ccccc2CN2CCCCC2)c1.
What is the InChIKey of (E)-3-(3-methoxyphenyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]prop-2-enamide?
The InChIKey is RIGJQQBLVDOLKP-OUKQBFOZSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-27-22-11-7-8-19(16-22)12-13-23(26)24-17-20-9-3-4-10-21(20)18-25-14-5-2-6-15-25/h3-4,7-13,16H,2,5-6,14-15,17-18H2,1H3,(H,24,26)/b13-12+.
What are the key properties of (E)-3-(3-methoxyphenyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]prop-2-enamide?
(E)-3-(3-methoxyphenyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]prop-2-enamide has a molecular weight of 364.49 g/mol, XLogP of 4.01, 7 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-ylmethyl)phenyl]methyl]prop-2-enamide is sourced from PubChem (CID 38740186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).