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

C21H21N3O — CID 2238851

IUPAC(E)-2-cyano-3-phenyl-N-(4-piperidin-1-ylphenyl)prop-2-enamide
SMILESN#C/C(=C\c1ccccc1)C(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C21H21N3O/c22-16-18(15-17-7-3-1-4-8-17)21(25)23-19-9-11-20(12-10-19)24-13-5-2-6-14-24/h1,3-4,7-12,15H,2,5-6,13-14H2,(H,23,25)/b18-15+
InChIKeyVUYXVKYFPSTYEG-OBGWFSINSA-N
MW331.42 g/mol
LogP4.22
Rot. Bonds4

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

(E)-2-cyano-3-phenyl-N-(4-piperidin-1-ylphenyl)prop-2-enamide (PubChem CID 2238851) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is (E)-2-cyano-3-phenyl-N-(4-piperidin-1-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-phenyl-N-(4-piperidin-1-ylphenyl)prop-2-enamide
PubChem CID2238851
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name(E)-2-cyano-3-phenyl-N-(4-piperidin-1-ylphenyl)prop-2-enamide
SMILESN#C/C(=C\c1ccccc1)C(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C21H21N3O/c22-16-18(15-17-7-3-1-4-8-17)21(25)23-19-9-11-20(12-10-19)24-13-5-2-6-14-24/h1,3-4,7-12,15H,2,5-6,13-14H2,(H,23,25)/b18-15+
InChIKeyVUYXVKYFPSTYEG-OBGWFSINSA-N
XLogP4.22
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-2-cyano-3-phenyl-N-(4-piperidin-1-ylphenyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-2-cyano-N-(4-morpholin-4-ylphenyl)-3-phenylprop-2-enamide
CID 2238856
(E)-2-cyano-N-(4-fluorophenyl)-3-(4-piperidin-1-ylphenyl)prop-2-enamide
CID 957135
(E)-3-(4-chlorophenyl)-2-cyano-N-(4-piperidin-1-ylphenyl)prop-2-enamide
CID 1185360
(Z)-2-cyano-N-(4-morpholin-4-ylphenyl)-3-(4-phenylphenyl)prop-2-enamide
CID 2121496
(Z)-2-cyano-N-methyl-3-(4-piperidin-1-ylphenyl)prop-2-enamide
CID 26477461
4-[[(Z)-2-cyano-3-(4-piperidin-1-ylanilino)prop-2-enoyl]amino]benzoic acid
CID 108823346
2-benzoyl-3-(4-piperidin-1-ylphenyl)prop-2-enenitrile
CID 3977368
(E)-2-cyano-N-(2-ethylphenyl)-3-(4-pyrrolidin-1-ylphenyl)prop-2-enamide
CID 1278925
(E)-2-cyano-N-(4-methylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide
CID 166404392
(Z)-2-cyano-3-(4-cyanophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide
CID 51109586
(E)-N-(4-chlorophenyl)-2-cyano-3-(4-morpholin-4-ylphenyl)prop-2-enamide
CID 2387031
(E)-2-cyano-3-(4-pyrrolidin-1-ylphenyl)prop-2-enoic acid
CID 71667419

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-phenyl-N-(4-piperidin-1-ylphenyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-3-phenyl-N-(4-piperidin-1-ylphenyl)prop-2-enamide (CID 2238851) is (E)-2-cyano-3-phenyl-N-(4-piperidin-1-ylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-phenyl-N-(4-piperidin-1-ylphenyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-phenyl-N-(4-piperidin-1-ylphenyl)prop-2-enamide is N#C/C(=C\c1ccccc1)C(=O)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of (E)-2-cyano-3-phenyl-N-(4-piperidin-1-ylphenyl)prop-2-enamide?
The InChIKey is VUYXVKYFPSTYEG-OBGWFSINSA-N. The full InChI is InChI=1S/C21H21N3O/c22-16-18(15-17-7-3-1-4-8-17)21(25)23-19-9-11-20(12-10-19)24-13-5-2-6-14-24/h1,3-4,7-12,15H,2,5-6,13-14H2,(H,23,25)/b18-15+.
What are the key properties of (E)-2-cyano-3-phenyl-N-(4-piperidin-1-ylphenyl)prop-2-enamide?
(E)-2-cyano-3-phenyl-N-(4-piperidin-1-ylphenyl)prop-2-enamide has a molecular weight of 331.42 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-phenyl-N-(4-piperidin-1-ylphenyl)prop-2-enamide is sourced from PubChem (CID 2238851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).