(E)-3-[2-(4-formylpiperazin-1-yl)phenyl]-N-hydroxyprop-2-enamide

C14H17N3O3 — CID 166920810

IUPAC(E)-3-[2-(4-formylpiperazin-1-yl)phenyl]-N-hydroxyprop-2-enamide
SMILESO=CN1CCN(c2ccccc2/C=C/C(=O)NO)CC1
InChIInChI=1S/C14H17N3O3/c18-11-16-7-9-17(10-8-16)13-4-2-1-3-12(13)5-6-14(19)15-20/h1-6,11,20H,7-10H2,(H,15,19)/b6-5+
InChIKeyUEEGWODTUTZCKM-AATRIKPKSA-N
MW275.31 g/mol
LogP0.48
Rot. Bonds4

About (E)-3-[2-(4-formylpiperazin-1-yl)phenyl]-N-hydroxyprop-2-enamide

(E)-3-[2-(4-formylpiperazin-1-yl)phenyl]-N-hydroxyprop-2-enamide (PubChem CID 166920810) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is (E)-3-[2-(4-formylpiperazin-1-yl)phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-(4-formylpiperazin-1-yl)phenyl]-N-hydroxyprop-2-enamide
PubChem CID166920810
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name(E)-3-[2-(4-formylpiperazin-1-yl)phenyl]-N-hydroxyprop-2-enamide
SMILESO=CN1CCN(c2ccccc2/C=C/C(=O)NO)CC1
InChIInChI=1S/C14H17N3O3/c18-11-16-7-9-17(10-8-16)13-4-2-1-3-12(13)5-6-14(19)15-20/h1-6,11,20H,7-10H2,(H,15,19)/b6-5+
InChIKeyUEEGWODTUTZCKM-AATRIKPKSA-N
XLogP0.48
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-(4-formylpiperazin-1-yl)phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[2-(4-formylpiperazin-1-yl)phenyl]-N-hydroxyprop-2-enamide (CID 166920810) is (E)-3-[2-(4-formylpiperazin-1-yl)phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[2-(4-formylpiperazin-1-yl)phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[2-(4-formylpiperazin-1-yl)phenyl]-N-hydroxyprop-2-enamide is O=CN1CCN(c2ccccc2/C=C/C(=O)NO)CC1.
What is the InChIKey of (E)-3-[2-(4-formylpiperazin-1-yl)phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is UEEGWODTUTZCKM-AATRIKPKSA-N. The full InChI is InChI=1S/C14H17N3O3/c18-11-16-7-9-17(10-8-16)13-4-2-1-3-12(13)5-6-14(19)15-20/h1-6,11,20H,7-10H2,(H,15,19)/b6-5+.
What are the key properties of (E)-3-[2-(4-formylpiperazin-1-yl)phenyl]-N-hydroxyprop-2-enamide?
(E)-3-[2-(4-formylpiperazin-1-yl)phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 275.31 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(4-formylpiperazin-1-yl)phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 166920810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).