N-[(E)-3-[4-[(E)-2-acetamido-3-phenylprop-2-enoyl]piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]acetamide

C26H28N4O4 — CID 5442372

IUPACN-[(E)-3-[4-[(E)-2-acetamido-3-phenylprop-2-enoyl]piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]acetamide
SMILESCC(=O)N/C(=C/c1ccccc1)C(=O)N1CCN(C(=O)/C(=C\c2ccccc2)NC(C)=O)CC1
InChIInChI=1S/C26H28N4O4/c1-19(31)27-23(17-21-9-5-3-6-10-21)25(33)29-13-15-30(16-14-29)26(34)24(28-20(2)32)18-22-11-7-4-8-12-22/h3-12,17-18H,13-16H2,1-2H3,(H,27,31)(H,28,32)/b23-17+,24-18+
InChIKeyUMXCWPVHFKNBBZ-GJHDBBOXSA-N
MW460.53 g/mol
LogP2.01
Rot. Bonds6

About N-[(E)-3-[4-[(E)-2-acetamido-3-phenylprop-2-enoyl]piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]acetamide

N-[(E)-3-[4-[(E)-2-acetamido-3-phenylprop-2-enoyl]piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]acetamide (PubChem CID 5442372) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is N-[(E)-3-[4-[(E)-2-acetamido-3-phenylprop-2-enoyl]piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]acetamide.

Molecular Properties

Compound NameN-[(E)-3-[4-[(E)-2-acetamido-3-phenylprop-2-enoyl]piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]acetamide
PubChem CID5442372
Molecular FormulaC26H28N4O4
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC NameN-[(E)-3-[4-[(E)-2-acetamido-3-phenylprop-2-enoyl]piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]acetamide
SMILESCC(=O)N/C(=C/c1ccccc1)C(=O)N1CCN(C(=O)/C(=C\c2ccccc2)NC(C)=O)CC1
InChIInChI=1S/C26H28N4O4/c1-19(31)27-23(17-21-9-5-3-6-10-21)25(33)29-13-15-30(16-14-29)26(34)24(28-20(2)32)18-22-11-7-4-8-12-22/h3-12,17-18H,13-16H2,1-2H3,(H,27,31)(H,28,32)/b23-17+,24-18+
InChIKeyUMXCWPVHFKNBBZ-GJHDBBOXSA-N
XLogP2.01
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-3-(4-methylpiperazin-1-yl)-3-oxo-1-phenylprop-1-en-2-yl]acetamide
CID 17271674
N-[(Z)-3-oxo-1-phenyl-3-(4-phenylpiperidin-1-yl)prop-1-en-2-yl]acetamide
CID 39580719
N-[(Z)-3-[4-[(Z)-2-benzamido-3-phenylprop-2-enoyl]piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 92982413
(E)-N-[(Z)-3-oxo-1-phenyl-3-pyrrolidin-1-ylprop-1-en-2-yl]-3-phenylprop-2-enamide
CID 155278050
(Z)-2-acetamido-N,N-dimethyl-3-phenylprop-2-enamide
CID 29278022
(E)-N-[(E)-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]-3-phenylprop-2-enamide
CID 2295931
(2R)-1-[(Z)-2-acetamido-3-phenylprop-2-enoyl]pyrrolidine-2-carboxylic acid
CID 27514994
N-[1-(2-acetamido-3-phenylprop-2-enoyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 76862313
N-[3-(4-methylpiperidin-1-yl)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 680553
N-[(E)-3-(4-benzylpiperazin-1-yl)-1-(2-chlorophenyl)-3-oxoprop-1-en-2-yl]acetamide
CID 18524133
N-(3-hydrazinyl-3-oxo-1-phenylprop-1-en-2-yl)acetamide
CID 53412410
[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 7553457

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-[4-[(E)-2-acetamido-3-phenylprop-2-enoyl]piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]acetamide?
The IUPAC name of N-[(E)-3-[4-[(E)-2-acetamido-3-phenylprop-2-enoyl]piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]acetamide (CID 5442372) is N-[(E)-3-[4-[(E)-2-acetamido-3-phenylprop-2-enoyl]piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]acetamide.
What is the SMILES notation for N-[(E)-3-[4-[(E)-2-acetamido-3-phenylprop-2-enoyl]piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]acetamide?
The canonical SMILES for N-[(E)-3-[4-[(E)-2-acetamido-3-phenylprop-2-enoyl]piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]acetamide is CC(=O)N/C(=C/c1ccccc1)C(=O)N1CCN(C(=O)/C(=C\c2ccccc2)NC(C)=O)CC1.
What is the InChIKey of N-[(E)-3-[4-[(E)-2-acetamido-3-phenylprop-2-enoyl]piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]acetamide?
The InChIKey is UMXCWPVHFKNBBZ-GJHDBBOXSA-N. The full InChI is InChI=1S/C26H28N4O4/c1-19(31)27-23(17-21-9-5-3-6-10-21)25(33)29-13-15-30(16-14-29)26(34)24(28-20(2)32)18-22-11-7-4-8-12-22/h3-12,17-18H,13-16H2,1-2H3,(H,27,31)(H,28,32)/b23-17+,24-18+.
What are the key properties of N-[(E)-3-[4-[(E)-2-acetamido-3-phenylprop-2-enoyl]piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]acetamide?
N-[(E)-3-[4-[(E)-2-acetamido-3-phenylprop-2-enoyl]piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]acetamide has a molecular weight of 460.53 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-[4-[(E)-2-acetamido-3-phenylprop-2-enoyl]piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]acetamide is sourced from PubChem (CID 5442372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).