(E)-3-[6-[(E)-3-(4-acetyl-3-phenylpiperazin-1-yl)-3-oxoprop-1-enyl]-2-pyridinyl]-N-hydroxyprop-2-enamide

C23H24N4O4 — CID 44554156

IUPAC(E)-3-[6-[(E)-3-(4-acetyl-3-phenylpiperazin-1-yl)-3-oxoprop-1-enyl]-2-pyridinyl]-N-hydroxyprop-2-enamide
SMILESCC(=O)N1CCN(C(=O)/C=C/c2cccc(/C=C/C(=O)NO)n2)CC1c1ccccc1
InChIInChI=1S/C23H24N4O4/c1-17(28)27-15-14-26(16-21(27)18-6-3-2-4-7-18)23(30)13-11-20-9-5-8-19(24-20)10-12-22(29)25-31/h2-13,21,31H,14-16H2,1H3,(H,25,29)/b12-10+,13-11+
InChIKeyZZQOPTFKWHYZSV-DCIPZJNNSA-N
MW420.47 g/mol
LogP2.05
Rot. Bonds5

About (E)-3-[6-[(E)-3-(4-acetyl-3-phenylpiperazin-1-yl)-3-oxoprop-1-enyl]-2-pyridinyl]-N-hydroxyprop-2-enamide

(E)-3-[6-[(E)-3-(4-acetyl-3-phenylpiperazin-1-yl)-3-oxoprop-1-enyl]-2-pyridinyl]-N-hydroxyprop-2-enamide (PubChem CID 44554156) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is (E)-3-[6-[(E)-3-(4-acetyl-3-phenylpiperazin-1-yl)-3-oxoprop-1-enyl]-2-pyridinyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[6-[(E)-3-(4-acetyl-3-phenylpiperazin-1-yl)-3-oxoprop-1-enyl]-2-pyridinyl]-N-hydroxyprop-2-enamide
PubChem CID44554156
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name(E)-3-[6-[(E)-3-(4-acetyl-3-phenylpiperazin-1-yl)-3-oxoprop-1-enyl]-2-pyridinyl]-N-hydroxyprop-2-enamide
SMILESCC(=O)N1CCN(C(=O)/C=C/c2cccc(/C=C/C(=O)NO)n2)CC1c1ccccc1
InChIInChI=1S/C23H24N4O4/c1-17(28)27-15-14-26(16-21(27)18-6-3-2-4-7-18)23(30)13-11-20-9-5-8-19(24-20)10-12-22(29)25-31/h2-13,21,31H,14-16H2,1H3,(H,25,29)/b12-10+,13-11+
InChIKeyZZQOPTFKWHYZSV-DCIPZJNNSA-N
XLogP2.05
TPSA102.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N-hydroxy-3-[6-[(E)-3-(4-methyl-3-phenylpiperazin-1-yl)-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide
CID 44553989
(E)-N-hydroxy-3-[6-[(E)-3-oxo-3-(3-phenylpyrrolidin-1-yl)prop-1-enyl]-2-pyridinyl]prop-2-enamide
CID 44553807
(E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[(3S)-3-phenylpiperidin-1-yl]prop-1-enyl]-2-pyridinyl]prop-2-enamide;hydrochloride
CID 44554331
N-hydroxy-3-[6-[3-oxo-3-(2-phenylpiperidin-1-yl)prop-1-enyl]-2-pyridinyl]prop-2-enamide;hydrochloride
CID 75067710
N-hydroxy-3-[6-[3-[3-(3-methylphenyl)piperidin-1-yl]-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide;hydrochloride
CID 75067604
(E)-3-[6-[(E)-3-(4-benzylpiperazin-1-yl)-3-oxoprop-1-enyl]-2-pyridinyl]-N-hydroxyprop-2-enamide
CID 44552937
(E)-4-[6-[(E)-3-(4-ethyl-3-phenylpiperazin-1-yl)-3-oxoprop-1-enyl]-2-pyridinyl]-1-hydroxybut-3-en-2-one
CID 58244956
(E)-3-[6-[(E)-3-(4-benzoylpiperidin-1-yl)-3-oxoprop-1-enyl]-2-pyridinyl]-N-hydroxyprop-2-enamide
CID 44552941
N-hydroxy-3-[6-[3-(3-naphthalen-2-ylpiperidin-1-yl)-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide;hydrochloride
CID 75067653
N-hydroxy-3-[6-[3-(3-naphthalen-1-ylpiperidin-1-yl)-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide
CID 75067607
(E)-N-hydroxy-3-[6-[(E)-3-(3-naphthalen-1-ylpiperidin-1-yl)-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide;hydrochloride
CID 44553479
N-hydroxy-3-[6-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide;hydrochloride
CID 75067538

Frequently Asked Questions

What is the IUPAC name of (E)-3-[6-[(E)-3-(4-acetyl-3-phenylpiperazin-1-yl)-3-oxoprop-1-enyl]-2-pyridinyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[6-[(E)-3-(4-acetyl-3-phenylpiperazin-1-yl)-3-oxoprop-1-enyl]-2-pyridinyl]-N-hydroxyprop-2-enamide (CID 44554156) is (E)-3-[6-[(E)-3-(4-acetyl-3-phenylpiperazin-1-yl)-3-oxoprop-1-enyl]-2-pyridinyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[6-[(E)-3-(4-acetyl-3-phenylpiperazin-1-yl)-3-oxoprop-1-enyl]-2-pyridinyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[6-[(E)-3-(4-acetyl-3-phenylpiperazin-1-yl)-3-oxoprop-1-enyl]-2-pyridinyl]-N-hydroxyprop-2-enamide is CC(=O)N1CCN(C(=O)/C=C/c2cccc(/C=C/C(=O)NO)n2)CC1c1ccccc1.
What is the InChIKey of (E)-3-[6-[(E)-3-(4-acetyl-3-phenylpiperazin-1-yl)-3-oxoprop-1-enyl]-2-pyridinyl]-N-hydroxyprop-2-enamide?
The InChIKey is ZZQOPTFKWHYZSV-DCIPZJNNSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-17(28)27-15-14-26(16-21(27)18-6-3-2-4-7-18)23(30)13-11-20-9-5-8-19(24-20)10-12-22(29)25-31/h2-13,21,31H,14-16H2,1H3,(H,25,29)/b12-10+,13-11+.
What are the key properties of (E)-3-[6-[(E)-3-(4-acetyl-3-phenylpiperazin-1-yl)-3-oxoprop-1-enyl]-2-pyridinyl]-N-hydroxyprop-2-enamide?
(E)-3-[6-[(E)-3-(4-acetyl-3-phenylpiperazin-1-yl)-3-oxoprop-1-enyl]-2-pyridinyl]-N-hydroxyprop-2-enamide has a molecular weight of 420.47 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[6-[(E)-3-(4-acetyl-3-phenylpiperazin-1-yl)-3-oxoprop-1-enyl]-2-pyridinyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 44554156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).