(E)-2-cyano-N-(2-ethoxyphenyl)-3-(4-piperidin-1-ylphenyl)prop-2-enamide

C23H25N3O2 — CID 7912048

IUPAC(E)-2-cyano-N-(2-ethoxyphenyl)-3-(4-piperidin-1-ylphenyl)prop-2-enamide
SMILESCCOc1ccccc1NC(=O)/C(C#N)=C/c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C23H25N3O2/c1-2-28-22-9-5-4-8-21(22)25-23(27)19(17-24)16-18-10-12-20(13-11-18)26-14-6-3-7-15-26/h4-5,8-13,16H,2-3,6-7,14-15H2,1H3,(H,25,27)/b19-16+
InChIKeyXFXWDJGTDUDZBK-KNTRCKAVSA-N
MW375.47 g/mol
LogP4.62
Rot. Bonds6

About (E)-2-cyano-N-(2-ethoxyphenyl)-3-(4-piperidin-1-ylphenyl)prop-2-enamide

(E)-2-cyano-N-(2-ethoxyphenyl)-3-(4-piperidin-1-ylphenyl)prop-2-enamide (PubChem CID 7912048) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is (E)-2-cyano-N-(2-ethoxyphenyl)-3-(4-piperidin-1-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-(2-ethoxyphenyl)-3-(4-piperidin-1-ylphenyl)prop-2-enamide
PubChem CID7912048
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name(E)-2-cyano-N-(2-ethoxyphenyl)-3-(4-piperidin-1-ylphenyl)prop-2-enamide
SMILESCCOc1ccccc1NC(=O)/C(C#N)=C/c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C23H25N3O2/c1-2-28-22-9-5-4-8-21(22)25-23(27)19(17-24)16-18-10-12-20(13-11-18)26-14-6-3-7-15-26/h4-5,8-13,16H,2-3,6-7,14-15H2,1H3,(H,25,27)/b19-16+
InChIKeyXFXWDJGTDUDZBK-KNTRCKAVSA-N
XLogP4.62
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-2-cyano-N-(2-ethylphenyl)-3-(4-pyrrolidin-1-ylphenyl)prop-2-enamide
CID 1278925
(E)-2-cyano-3-phenyl-N-(4-piperidin-1-ylphenyl)prop-2-enamide
CID 2238851
2-cyano-3-(4-morpholin-4-ylphenyl)-N-(2-phenoxyphenyl)prop-2-enamide
CID 3421130
(Z)-2-cyano-N-methyl-3-(4-piperidin-1-ylphenyl)prop-2-enamide
CID 26477461
(Z)-2-cyano-N-(2-ethoxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enamide
CID 2424404
(E)-2-cyano-N-(4-fluorophenyl)-3-(4-piperidin-1-ylphenyl)prop-2-enamide
CID 957135
(Z)-3-(5-bromothiophen-3-yl)-2-cyano-N-(2-ethoxyphenyl)prop-2-enamide
CID 86925058
N-butyl-2-cyano-3-(4-piperidin-1-ylphenyl)prop-2-enamide
CID 4806212
2-cyano-N-(2-methoxyphenyl)-3-(3-methyl-4-pyrrolidin-1-ylphenyl)prop-2-enamide
CID 3895835
(E)-3-(3-chloro-4,5-dihydroxyphenyl)-2-cyano-N-(2-ethoxyphenyl)prop-2-enamide
CID 9187387
(E)-2-cyano-3-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-N-(2-methoxyphenyl)prop-2-enamide
CID 6049053
(E)-2-cyano-3-(4-ethoxyphenyl)-N-(2-ethylphenyl)prop-2-enamide
CID 19174952

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-(2-ethoxyphenyl)-3-(4-piperidin-1-ylphenyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-N-(2-ethoxyphenyl)-3-(4-piperidin-1-ylphenyl)prop-2-enamide (CID 7912048) is (E)-2-cyano-N-(2-ethoxyphenyl)-3-(4-piperidin-1-ylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-(2-ethoxyphenyl)-3-(4-piperidin-1-ylphenyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-(2-ethoxyphenyl)-3-(4-piperidin-1-ylphenyl)prop-2-enamide is CCOc1ccccc1NC(=O)/C(C#N)=C/c1ccc(N2CCCCC2)cc1.
What is the InChIKey of (E)-2-cyano-N-(2-ethoxyphenyl)-3-(4-piperidin-1-ylphenyl)prop-2-enamide?
The InChIKey is XFXWDJGTDUDZBK-KNTRCKAVSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-2-28-22-9-5-4-8-21(22)25-23(27)19(17-24)16-18-10-12-20(13-11-18)26-14-6-3-7-15-26/h4-5,8-13,16H,2-3,6-7,14-15H2,1H3,(H,25,27)/b19-16+.
What are the key properties of (E)-2-cyano-N-(2-ethoxyphenyl)-3-(4-piperidin-1-ylphenyl)prop-2-enamide?
(E)-2-cyano-N-(2-ethoxyphenyl)-3-(4-piperidin-1-ylphenyl)prop-2-enamide has a molecular weight of 375.47 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N-(2-ethoxyphenyl)-3-(4-piperidin-1-ylphenyl)prop-2-enamide is sourced from PubChem (CID 7912048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).