(E)-2-cyano-3-[4-(4-fluorophenyl)piperazin-1-yl]-N-phenylprop-2-enamide

C20H19FN4O — CID 7709920

IUPAC(E)-2-cyano-3-[4-(4-fluorophenyl)piperazin-1-yl]-N-phenylprop-2-enamide
SMILESN#C/C(=C\N1CCN(c2ccc(F)cc2)CC1)C(=O)Nc1ccccc1
InChIInChI=1S/C20H19FN4O/c21-17-6-8-19(9-7-17)25-12-10-24(11-13-25)15-16(14-22)20(26)23-18-4-2-1-3-5-18/h1-9,15H,10-13H2,(H,23,26)/b16-15+
InChIKeyBFTPGOPEPNBDDQ-FOCLMDBBSA-N
MW350.40 g/mol
LogP2.99
Rot. Bonds4

About (E)-2-cyano-3-[4-(4-fluorophenyl)piperazin-1-yl]-N-phenylprop-2-enamide

(E)-2-cyano-3-[4-(4-fluorophenyl)piperazin-1-yl]-N-phenylprop-2-enamide (PubChem CID 7709920) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is (E)-2-cyano-3-[4-(4-fluorophenyl)piperazin-1-yl]-N-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-[4-(4-fluorophenyl)piperazin-1-yl]-N-phenylprop-2-enamide
PubChem CID7709920
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name(E)-2-cyano-3-[4-(4-fluorophenyl)piperazin-1-yl]-N-phenylprop-2-enamide
SMILESN#C/C(=C\N1CCN(c2ccc(F)cc2)CC1)C(=O)Nc1ccccc1
InChIInChI=1S/C20H19FN4O/c21-17-6-8-19(9-7-17)25-12-10-24(11-13-25)15-16(14-22)20(26)23-18-4-2-1-3-5-18/h1-9,15H,10-13H2,(H,23,26)/b16-15+
InChIKeyBFTPGOPEPNBDDQ-FOCLMDBBSA-N
XLogP2.99
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-benzyl-2-cyano-3-[4-(4-fluorophenyl)piperazin-1-yl]prop-2-enamide
CID 98369519
(Z)-2-cyano-N-(4-fluorophenyl)-3-(4-formylpiperazin-1-yl)prop-2-enamide
CID 108852001
(Z)-N-(4-acetylphenyl)-2-cyano-3-(4-phenylpiperazin-1-yl)prop-2-enamide
CID 108856509
2-cyano-N-(4-methoxyphenyl)-3-(4-phenylpiperazin-1-yl)prop-2-enamide
CID 7693920
(Z)-2-cyano-N-(4-nitrophenyl)-3-(4-phenylpiperazin-1-yl)prop-2-enamide
CID 108853152
(Z)-2-cyano-3-(4-phenylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 108826405
(Z)-2-cyano-N-(4-fluorophenyl)-3-(4-methylsulfonylpiperazin-1-yl)prop-2-enamide
CID 108852104
(Z)-2-cyano-3-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 108858189
(E)-2-cyano-N-(4-fluorophenyl)-3-(4-piperidin-1-ylphenyl)prop-2-enamide
CID 957135
(Z)-3-anilino-2-cyano-N-(4-fluorophenyl)prop-2-enamide
CID 108851908
(Z)-2-cyano-N-(4-methylphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]prop-2-enamide
CID 108817437
4-[[(Z)-2-cyano-3-[4-(3-methylphenyl)piperazin-1-yl]prop-2-enoyl]amino]benzoic acid
CID 108823404

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-[4-(4-fluorophenyl)piperazin-1-yl]-N-phenylprop-2-enamide?
The IUPAC name of (E)-2-cyano-3-[4-(4-fluorophenyl)piperazin-1-yl]-N-phenylprop-2-enamide (CID 7709920) is (E)-2-cyano-3-[4-(4-fluorophenyl)piperazin-1-yl]-N-phenylprop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-[4-(4-fluorophenyl)piperazin-1-yl]-N-phenylprop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-[4-(4-fluorophenyl)piperazin-1-yl]-N-phenylprop-2-enamide is N#C/C(=C\N1CCN(c2ccc(F)cc2)CC1)C(=O)Nc1ccccc1.
What is the InChIKey of (E)-2-cyano-3-[4-(4-fluorophenyl)piperazin-1-yl]-N-phenylprop-2-enamide?
The InChIKey is BFTPGOPEPNBDDQ-FOCLMDBBSA-N. The full InChI is InChI=1S/C20H19FN4O/c21-17-6-8-19(9-7-17)25-12-10-24(11-13-25)15-16(14-22)20(26)23-18-4-2-1-3-5-18/h1-9,15H,10-13H2,(H,23,26)/b16-15+.
What are the key properties of (E)-2-cyano-3-[4-(4-fluorophenyl)piperazin-1-yl]-N-phenylprop-2-enamide?
(E)-2-cyano-3-[4-(4-fluorophenyl)piperazin-1-yl]-N-phenylprop-2-enamide has a molecular weight of 350.40 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-[4-(4-fluorophenyl)piperazin-1-yl]-N-phenylprop-2-enamide is sourced from PubChem (CID 7709920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).