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

C23H28N4O3 — CID 7551049

IUPACN'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide
SMILESCOc1ccccc1/C=C/C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H28N4O3/c1-30-21-10-6-5-7-19(21)11-12-22(28)24-25-23(29)13-14-26-15-17-27(18-16-26)20-8-3-2-4-9-20/h2-12H,13-18H2,1H3,(H,24,28)(H,25,29)/b12-11+
InChIKeyCAAGFRPDJQXHHA-VAWYXSNFSA-N
MW408.50 g/mol
LogP2.07
Rot. Bonds7

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

N'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide (PubChem CID 7551049) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is N'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide.

Molecular Properties

Compound NameN'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide
PubChem CID7551049
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC NameN'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide
SMILESCOc1ccccc1/C=C/C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H28N4O3/c1-30-21-10-6-5-7-19(21)11-12-22(28)24-25-23(29)13-14-26-15-17-27(18-16-26)20-8-3-2-4-9-20/h2-12H,13-18H2,1H3,(H,24,28)(H,25,29)/b12-11+
InChIKeyCAAGFRPDJQXHHA-VAWYXSNFSA-N
XLogP2.07
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

(E)-3-(2-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide
CID 30857760
1-(3-methoxyphenyl)-3-[3-(4-phenylpiperazin-1-yl)propanoylamino]thiourea
CID 8614615
3,5-dichloro-4-methoxy-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide
CID 29354060
(E)-N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 46524125
N'-[2-(2,6-dimethylphenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide
CID 7550980
3-(4-benzhydrylpiperazin-1-yl)-N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]propanehydrazide
CID 6109897
3-morpholin-4-yl-N'-(3-phenylprop-2-enoyl)propanehydrazide;hydrochloride
CID 73242622
N-hydroxy-3-(2-methoxyphenyl)prop-2-enamide
CID 123173944
5-methyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]thiophene-2-carbohydrazide
CID 26523718
(2S)-2-phenoxy-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]propanehydrazide
CID 7551063
(E)-N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 39737964
N'-[2-(4-acetylphenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide
CID 7891748

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide?
The IUPAC name of N'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide (CID 7551049) is N'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide.
What is the SMILES notation for N'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide?
The canonical SMILES for N'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide is COc1ccccc1/C=C/C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1.
What is the InChIKey of N'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide?
The InChIKey is CAAGFRPDJQXHHA-VAWYXSNFSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-30-21-10-6-5-7-19(21)11-12-22(28)24-25-23(29)13-14-26-15-17-27(18-16-26)20-8-3-2-4-9-20/h2-12H,13-18H2,1H3,(H,24,28)(H,25,29)/b12-11+.
What are the key properties of N'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide?
N'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide has a molecular weight of 408.50 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide is sourced from PubChem (CID 7551049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).