(E)-3-[4-[(E)-3-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-3-oxoprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide

C25H27N3O4 — CID 24756557

IUPAC(E)-3-[4-[(E)-3-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-3-oxoprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide
SMILESCC(=O)N1CCN(Cc2ccc(C(=O)/C=C/c3ccc(/C=C/C(=O)NO)cc3)cc2)CC1
InChIInChI=1S/C25H27N3O4/c1-19(29)28-16-14-27(15-17-28)18-22-6-10-23(11-7-22)24(30)12-8-20-2-4-21(5-3-20)9-13-25(31)26-32/h2-13,32H,14-18H2,1H3,(H,26,31)/b12-8+,13-9+
InChIKeyUJXQCQQKEWJUPO-QHKWOANTSA-N
MW433.51 g/mol
LogP2.77
Rot. Bonds7

About (E)-3-[4-[(E)-3-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-3-oxoprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide

(E)-3-[4-[(E)-3-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-3-oxoprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide (PubChem CID 24756557) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is (E)-3-[4-[(E)-3-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-3-oxoprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-[(E)-3-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-3-oxoprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide
PubChem CID24756557
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC Name(E)-3-[4-[(E)-3-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-3-oxoprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide
SMILESCC(=O)N1CCN(Cc2ccc(C(=O)/C=C/c3ccc(/C=C/C(=O)NO)cc3)cc2)CC1
InChIInChI=1S/C25H27N3O4/c1-19(29)28-16-14-27(15-17-28)18-22-6-10-23(11-7-22)24(30)12-8-20-2-4-21(5-3-20)9-13-25(31)26-32/h2-13,32H,14-18H2,1H3,(H,26,31)/b12-8+,13-9+
InChIKeyUJXQCQQKEWJUPO-QHKWOANTSA-N
XLogP2.77
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.77
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)-3-[4-[(E)-3-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-3-oxoprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide
CID 24756555
3-[4-[3-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-3-oxoprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide
CID 91415753
(E)-N-hydroxy-3-[4-[(E)-3-oxo-3-[4-(piperazin-1-ylmethyl)phenyl]prop-1-enyl]phenyl]prop-2-enamide
CID 24757863
(E)-3-[3-[(E)-3-[4-(4-benzylpiperazin-1-yl)phenyl]-3-oxoprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide
CID 25207656
3-[6-[3-[3-[(4-acetylpiperazin-1-yl)methyl]phenyl]-3-oxoprop-1-enyl]-2-pyridinyl]-N-hydroxyprop-2-enamide
CID 74428970
(E)-N-hydroxy-3-[4-[(E)-3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enamide
CID 24756560
(E)-N-hydroxy-3-[3-[(E)-3-oxo-3-[3-[(4-phenylpiperazin-1-yl)methyl]phenyl]prop-1-enyl]phenyl]prop-2-enamide
CID 25207493
N-hydroxy-3-[4-[3-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enamide
CID 75077226
(E)-3-[6-[(E)-3-[4-(4-benzylpiperazin-1-yl)phenyl]-3-oxoprop-1-enyl]-2-pyridinyl]-N-hydroxyprop-2-enamide
CID 25205223
3-[6-[3-[4-(4-benzylpiperazin-1-yl)phenyl]-3-oxoprop-1-enyl]-2-pyridinyl]-N-hydroxyprop-2-enamide
CID 74428358
1-[4-[[4-(chloromethyl)phenyl]methyl]piperazin-1-yl]ethanone
CID 175453209
methyl 4-[(E)-3-(4-benzylpiperazin-1-yl)-3-oxoprop-1-enyl]benzoate
CID 26535461

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[(E)-3-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-3-oxoprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[4-[(E)-3-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-3-oxoprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide (CID 24756557) is (E)-3-[4-[(E)-3-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-3-oxoprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[4-[(E)-3-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-3-oxoprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[4-[(E)-3-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-3-oxoprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide is CC(=O)N1CCN(Cc2ccc(C(=O)/C=C/c3ccc(/C=C/C(=O)NO)cc3)cc2)CC1.
What is the InChIKey of (E)-3-[4-[(E)-3-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-3-oxoprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is UJXQCQQKEWJUPO-QHKWOANTSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-19(29)28-16-14-27(15-17-28)18-22-6-10-23(11-7-22)24(30)12-8-20-2-4-21(5-3-20)9-13-25(31)26-32/h2-13,32H,14-18H2,1H3,(H,26,31)/b12-8+,13-9+.
What are the key properties of (E)-3-[4-[(E)-3-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-3-oxoprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide?
(E)-3-[4-[(E)-3-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-3-oxoprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 433.51 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[(E)-3-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-3-oxoprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 24756557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).