(E)-N-hydroxy-3-[2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]phenyl]prop-2-enamide

C19H22N4O2 — CID 122514187

IUPAC(E)-N-hydroxy-3-[2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1N1CCN(Cc2ccncc2)CC1)NO
InChIInChI=1S/C19H22N4O2/c24-19(21-25)6-5-17-3-1-2-4-18(17)23-13-11-22(12-14-23)15-16-7-9-20-10-8-16/h1-10,25H,11-15H2,(H,21,24)/b6-5+
InChIKeyZKXCEEPTSFKXPI-AATRIKPKSA-N
MW338.41 g/mol
LogP1.92
Rot. Bonds5

About (E)-N-hydroxy-3-[2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]phenyl]prop-2-enamide

(E)-N-hydroxy-3-[2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]phenyl]prop-2-enamide (PubChem CID 122514187) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]phenyl]prop-2-enamide
PubChem CID122514187
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name(E)-N-hydroxy-3-[2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1N1CCN(Cc2ccncc2)CC1)NO
InChIInChI=1S/C19H22N4O2/c24-19(21-25)6-5-17-3-1-2-4-18(17)23-13-11-22(12-14-23)15-16-7-9-20-10-8-16/h1-10,25H,11-15H2,(H,21,24)/b6-5+
InChIKeyZKXCEEPTSFKXPI-AATRIKPKSA-N
XLogP1.92
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.92
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-[2-[4-[(4-propan-2-yloxyphenyl)methyl]piperazin-1-yl]phenyl]prop-2-enamide
CID 122514430
(E)-3-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide
CID 122514118
(E)-3-[2-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide
CID 122514028
(E)-3-[2-(4-formylpiperazin-1-yl)phenyl]-N-hydroxyprop-2-enamide
CID 166920810
(Z)-3-[2-(4-benzylpiperazin-1-yl)phenyl]prop-2-enamide
CID 170876705
(E)-3-[2-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide
CID 122513951
(E)-3-[2-[4-[2-(4-fluorophenyl)sulfanylacetyl]piperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide
CID 122514032
(E)-3-[2-[4-[(4-acetylpiperazin-2-yl)methyl]piperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide
CID 155210638
(E)-N-[3-oxo-3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propyl]-3-phenylprop-2-enamide
CID 9226594
ethane;methyl (E)-3-[2-[4-[(4-propan-2-yloxyphenyl)methyl]piperazin-1-yl]phenyl]prop-2-enoate
CID 145156916
(E)-3-[2-[4-(5-chlorothiophen-2-yl)sulfanylpiperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide
CID 145156878
(E)-3-[2-[4-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetyl]piperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide
CID 122514284

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]phenyl]prop-2-enamide (CID 122514187) is (E)-N-hydroxy-3-[2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]phenyl]prop-2-enamide is O=C(/C=C/c1ccccc1N1CCN(Cc2ccncc2)CC1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]phenyl]prop-2-enamide?
The InChIKey is ZKXCEEPTSFKXPI-AATRIKPKSA-N. The full InChI is InChI=1S/C19H22N4O2/c24-19(21-25)6-5-17-3-1-2-4-18(17)23-13-11-22(12-14-23)15-16-7-9-20-10-8-16/h1-10,25H,11-15H2,(H,21,24)/b6-5+.
What are the key properties of (E)-N-hydroxy-3-[2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]phenyl]prop-2-enamide has a molecular weight of 338.41 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]phenyl]prop-2-enamide is sourced from PubChem (CID 122514187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).