3-methoxy-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide

C21H26N4O3 — CID 4030967

IUPAC3-methoxy-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide
SMILESCOc1cccc(C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C21H26N4O3/c1-28-19-9-5-6-17(16-19)21(27)23-22-20(26)10-11-24-12-14-25(15-13-24)18-7-3-2-4-8-18/h2-9,16H,10-15H2,1H3,(H,22,26)(H,23,27)
InChIKeyXIRQXJPTUNGKPZ-UHFFFAOYSA-N
MW382.46 g/mol
LogP1.67
Rot. Bonds6

About 3-methoxy-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide

3-methoxy-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide (PubChem CID 4030967) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 3-methoxy-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide.

Molecular Properties

Compound Name3-methoxy-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide
PubChem CID4030967
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name3-methoxy-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide
SMILESCOc1cccc(C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C21H26N4O3/c1-28-19-9-5-6-17(16-19)21(27)23-22-20(26)10-11-24-12-14-25(15-13-24)18-7-3-2-4-8-18/h2-9,16H,10-15H2,1H3,(H,22,26)(H,23,27)
InChIKeyXIRQXJPTUNGKPZ-UHFFFAOYSA-N
XLogP1.67
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 51.67
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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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide?
The IUPAC name of 3-methoxy-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide (CID 4030967) is 3-methoxy-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide.
What is the SMILES notation for 3-methoxy-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide?
The canonical SMILES for 3-methoxy-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide is COc1cccc(C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of 3-methoxy-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide?
The InChIKey is XIRQXJPTUNGKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-28-19-9-5-6-17(16-19)21(27)23-22-20(26)10-11-24-12-14-25(15-13-24)18-7-3-2-4-8-18/h2-9,16H,10-15H2,1H3,(H,22,26)(H,23,27).
What are the key properties of 3-methoxy-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide?
3-methoxy-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide has a molecular weight of 382.46 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide is sourced from PubChem (CID 4030967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).