(E)-N-[1-oxo-1-[4-(2-pyridin-2-ylacetyl)piperazin-1-yl]propan-2-yl]-3-phenylprop-2-enamide

C23H26N4O3 — CID 56521145

IUPAC(E)-N-[1-oxo-1-[4-(2-pyridin-2-ylacetyl)piperazin-1-yl]propan-2-yl]-3-phenylprop-2-enamide
SMILESCC(NC(=O)/C=C/c1ccccc1)C(=O)N1CCN(C(=O)Cc2ccccn2)CC1
InChIInChI=1S/C23H26N4O3/c1-18(25-21(28)11-10-19-7-3-2-4-8-19)23(30)27-15-13-26(14-16-27)22(29)17-20-9-5-6-12-24-20/h2-12,18H,13-17H2,1H3,(H,25,28)/b11-10+
InChIKeyYUMFIGPJLYWLIU-ZHACJKMWSA-N
MW406.49 g/mol
LogP1.51
Rot. Bonds6

About (E)-N-[1-oxo-1-[4-(2-pyridin-2-ylacetyl)piperazin-1-yl]propan-2-yl]-3-phenylprop-2-enamide

(E)-N-[1-oxo-1-[4-(2-pyridin-2-ylacetyl)piperazin-1-yl]propan-2-yl]-3-phenylprop-2-enamide (PubChem CID 56521145) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is (E)-N-[1-oxo-1-[4-(2-pyridin-2-ylacetyl)piperazin-1-yl]propan-2-yl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[1-oxo-1-[4-(2-pyridin-2-ylacetyl)piperazin-1-yl]propan-2-yl]-3-phenylprop-2-enamide
PubChem CID56521145
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name(E)-N-[1-oxo-1-[4-(2-pyridin-2-ylacetyl)piperazin-1-yl]propan-2-yl]-3-phenylprop-2-enamide
SMILESCC(NC(=O)/C=C/c1ccccc1)C(=O)N1CCN(C(=O)Cc2ccccn2)CC1
InChIInChI=1S/C23H26N4O3/c1-18(25-21(28)11-10-19-7-3-2-4-8-19)23(30)27-15-13-26(14-16-27)22(29)17-20-9-5-6-12-24-20/h2-12,18H,13-17H2,1H3,(H,25,28)/b11-10+
InChIKeyYUMFIGPJLYWLIU-ZHACJKMWSA-N
XLogP1.51
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-oxo-1-[4-(2-pyridin-2-ylacetyl)piperazin-1-yl]propan-2-yl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[1-oxo-1-[4-(2-pyridin-2-ylacetyl)piperazin-1-yl]propan-2-yl]-3-phenylprop-2-enamide (CID 56521145) is (E)-N-[1-oxo-1-[4-(2-pyridin-2-ylacetyl)piperazin-1-yl]propan-2-yl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[1-oxo-1-[4-(2-pyridin-2-ylacetyl)piperazin-1-yl]propan-2-yl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[1-oxo-1-[4-(2-pyridin-2-ylacetyl)piperazin-1-yl]propan-2-yl]-3-phenylprop-2-enamide is CC(NC(=O)/C=C/c1ccccc1)C(=O)N1CCN(C(=O)Cc2ccccn2)CC1.
What is the InChIKey of (E)-N-[1-oxo-1-[4-(2-pyridin-2-ylacetyl)piperazin-1-yl]propan-2-yl]-3-phenylprop-2-enamide?
The InChIKey is YUMFIGPJLYWLIU-ZHACJKMWSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-18(25-21(28)11-10-19-7-3-2-4-8-19)23(30)27-15-13-26(14-16-27)22(29)17-20-9-5-6-12-24-20/h2-12,18H,13-17H2,1H3,(H,25,28)/b11-10+.
What are the key properties of (E)-N-[1-oxo-1-[4-(2-pyridin-2-ylacetyl)piperazin-1-yl]propan-2-yl]-3-phenylprop-2-enamide?
(E)-N-[1-oxo-1-[4-(2-pyridin-2-ylacetyl)piperazin-1-yl]propan-2-yl]-3-phenylprop-2-enamide has a molecular weight of 406.49 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-oxo-1-[4-(2-pyridin-2-ylacetyl)piperazin-1-yl]propan-2-yl]-3-phenylprop-2-enamide is sourced from PubChem (CID 56521145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).