(2S)-2-phenoxy-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]propanehydrazide

C22H28N4O3 — CID 7551063

IUPAC(2S)-2-phenoxy-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]propanehydrazide
SMILESC[C@H](Oc1ccccc1)C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H28N4O3/c1-18(29-20-10-6-3-7-11-20)22(28)24-23-21(27)12-13-25-14-16-26(17-15-25)19-8-4-2-5-9-19/h2-11,18H,12-17H2,1H3,(H,23,27)(H,24,28)/t18-/m0/s1
InChIKeyAAWTYPAKCCKTHE-SFHVURJKSA-N
MW396.49 g/mol
LogP1.81
Rot. Bonds7

About (2S)-2-phenoxy-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]propanehydrazide

(2S)-2-phenoxy-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]propanehydrazide (PubChem CID 7551063) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is (2S)-2-phenoxy-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]propanehydrazide.

Molecular Properties

Compound Name(2S)-2-phenoxy-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]propanehydrazide
PubChem CID7551063
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name(2S)-2-phenoxy-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]propanehydrazide
SMILESC[C@H](Oc1ccccc1)C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H28N4O3/c1-18(29-20-10-6-3-7-11-20)22(28)24-23-21(27)12-13-25-14-16-26(17-15-25)19-8-4-2-5-9-19/h2-11,18H,12-17H2,1H3,(H,23,27)(H,24,28)/t18-/m0/s1
InChIKeyAAWTYPAKCCKTHE-SFHVURJKSA-N
XLogP1.81
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenoxy)-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide
CID 46601982
N'-[2-(2,6-dimethylphenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide
CID 7550980
(2S)-2-(3-methylphenoxy)-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]propanehydrazide
CID 7550974
N'-[2-(4-acetylphenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide
CID 7891748
1-(3-methoxyphenyl)-3-[3-(4-phenylpiperazin-1-yl)propanoylamino]thiourea
CID 8614615
3-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 109027170
N'-(2-ethoxyacetyl)-2-phenoxypropanehydrazide
CID 17140894
5-methyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]thiophene-2-carbohydrazide
CID 26523718
N'-[2-(2,4-dichlorophenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide
CID 26523702
N'-(3-phenothiazin-10-ylpropanoyl)-3-(4-phenylpiperazin-1-yl)propanehydrazide
CID 4169019
N-(3-hydroxy-4-methylpentyl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 111540277
N'-[3-(4-phenylpiperazin-1-yl)propanoyl]furan-2-carbohydrazide
CID 2677075

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenoxy-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]propanehydrazide?
The IUPAC name of (2S)-2-phenoxy-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]propanehydrazide (CID 7551063) is (2S)-2-phenoxy-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]propanehydrazide.
What is the SMILES notation for (2S)-2-phenoxy-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]propanehydrazide?
The canonical SMILES for (2S)-2-phenoxy-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]propanehydrazide is C[C@H](Oc1ccccc1)C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1.
What is the InChIKey of (2S)-2-phenoxy-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]propanehydrazide?
The InChIKey is AAWTYPAKCCKTHE-SFHVURJKSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-18(29-20-10-6-3-7-11-20)22(28)24-23-21(27)12-13-25-14-16-26(17-15-25)19-8-4-2-5-9-19/h2-11,18H,12-17H2,1H3,(H,23,27)(H,24,28)/t18-/m0/s1.
What are the key properties of (2S)-2-phenoxy-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]propanehydrazide?
(2S)-2-phenoxy-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]propanehydrazide has a molecular weight of 396.49 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenoxy-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]propanehydrazide is sourced from PubChem (CID 7551063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).