N'-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-3-(4-phenylpiperazin-1-ium-1-yl)propanehydrazide

C24H31N4O3+ — CID 9150896

IUPACN'-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-3-(4-phenylpiperazin-1-ium-1-yl)propanehydrazide
SMILESCCOc1ccc(/C=C/C(=O)NNC(=O)CC[NH+]2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C24H30N4O3/c1-2-31-22-11-8-20(9-12-22)10-13-23(29)25-26-24(30)14-15-27-16-18-28(19-17-27)21-6-4-3-5-7-21/h3-13H,2,14-19H2,1H3,(H,25,29)(H,26,30)/p+1/b13-10+
InChIKeyILZWYJNKUFBSGB-JLHYYAGUSA-O
MW423.54 g/mol
LogP1.04
Rot. Bonds8

About N'-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-3-(4-phenylpiperazin-1-ium-1-yl)propanehydrazide

N'-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-3-(4-phenylpiperazin-1-ium-1-yl)propanehydrazide (PubChem CID 9150896) has the molecular formula C24H31N4O3+ and a molecular weight of 423.54 g/mol. Its IUPAC name is N'-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-3-(4-phenylpiperazin-1-ium-1-yl)propanehydrazide.

Molecular Properties

Compound NameN'-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-3-(4-phenylpiperazin-1-ium-1-yl)propanehydrazide
PubChem CID9150896
Molecular FormulaC24H31N4O3+
Molecular Weight423.54 g/mol
Exact Mass423.24
IUPAC NameN'-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-3-(4-phenylpiperazin-1-ium-1-yl)propanehydrazide
SMILESCCOc1ccc(/C=C/C(=O)NNC(=O)CC[NH+]2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C24H30N4O3/c1-2-31-22-11-8-20(9-12-22)10-13-23(29)25-26-24(30)14-15-27-16-18-28(19-17-27)21-6-4-3-5-7-21/h3-13H,2,14-19H2,1H3,(H,25,29)(H,26,30)/p+1/b13-10+
InChIKeyILZWYJNKUFBSGB-JLHYYAGUSA-O
XLogP1.04
TPSA75.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-phenylpiperazin-1-ium-1-yl)-N'-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]propanehydrazide
CID 9150830
1-(4-ethoxyphenyl)-3-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]thiourea
CID 8614583
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide
CID 7955819
N-(4-ethoxyphenyl)-4-oxo-4-[2-[(E)-3-phenylprop-2-enoyl]hydrazinyl]butanamide
CID 6275606
(E)-3-(4-ethoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)prop-2-enamide
CID 38691544
(E)-3-(4-ethoxyphenyl)-N'-(2-naphthalen-1-ylacetyl)prop-2-enehydrazide
CID 17227282
3-methyl-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]benzohydrazide
CID 7891809
4-(difluoromethoxy)-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]benzohydrazide
CID 7891743
(2S)-2-(3-methylphenoxy)-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]propanehydrazide
CID 7550974
3-(4-phenylpiperazin-1-ium-1-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]propanamide
CID 7955734
(E)-3-(4-ethoxyphenyl)-N'-[2-(2-fluorophenoxy)acetyl]prop-2-enehydrazide
CID 9471919
(E)-N-(1-phenylpiperidin-4-yl)-3-(4-propoxyphenyl)prop-2-enamide
CID 75405131

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-3-(4-phenylpiperazin-1-ium-1-yl)propanehydrazide?
The IUPAC name of N'-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-3-(4-phenylpiperazin-1-ium-1-yl)propanehydrazide (CID 9150896) is N'-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-3-(4-phenylpiperazin-1-ium-1-yl)propanehydrazide.
What is the SMILES notation for N'-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-3-(4-phenylpiperazin-1-ium-1-yl)propanehydrazide?
The canonical SMILES for N'-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-3-(4-phenylpiperazin-1-ium-1-yl)propanehydrazide is CCOc1ccc(/C=C/C(=O)NNC(=O)CC[NH+]2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of N'-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-3-(4-phenylpiperazin-1-ium-1-yl)propanehydrazide?
The InChIKey is ILZWYJNKUFBSGB-JLHYYAGUSA-O. The full InChI is InChI=1S/C24H30N4O3/c1-2-31-22-11-8-20(9-12-22)10-13-23(29)25-26-24(30)14-15-27-16-18-28(19-17-27)21-6-4-3-5-7-21/h3-13H,2,14-19H2,1H3,(H,25,29)(H,26,30)/p+1/b13-10+.
What are the key properties of N'-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-3-(4-phenylpiperazin-1-ium-1-yl)propanehydrazide?
N'-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-3-(4-phenylpiperazin-1-ium-1-yl)propanehydrazide has a molecular weight of 423.54 g/mol, XLogP of 1.04, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-3-(4-phenylpiperazin-1-ium-1-yl)propanehydrazide is sourced from PubChem (CID 9150896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).