4-phenyl-N'-(3-piperidin-1-ylpropanoyl)benzohydrazide

C21H25N3O2 — CID 9372733

IUPAC4-phenyl-N'-(3-piperidin-1-ylpropanoyl)benzohydrazide
SMILESO=C(CCN1CCCCC1)NNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H25N3O2/c25-20(13-16-24-14-5-2-6-15-24)22-23-21(26)19-11-9-18(10-12-19)17-7-3-1-4-8-17/h1,3-4,7-12H,2,5-6,13-16H2,(H,22,25)(H,23,26)
InChIKeyZOQONOPRCDFPIS-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.99
Rot. Bonds5

About 4-phenyl-N'-(3-piperidin-1-ylpropanoyl)benzohydrazide

4-phenyl-N'-(3-piperidin-1-ylpropanoyl)benzohydrazide (PubChem CID 9372733) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-phenyl-N'-(3-piperidin-1-ylpropanoyl)benzohydrazide.

Molecular Properties

Compound Name4-phenyl-N'-(3-piperidin-1-ylpropanoyl)benzohydrazide
PubChem CID9372733
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name4-phenyl-N'-(3-piperidin-1-ylpropanoyl)benzohydrazide
SMILESO=C(CCN1CCCCC1)NNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H25N3O2/c25-20(13-16-24-14-5-2-6-15-24)22-23-21(26)19-11-9-18(10-12-19)17-7-3-1-4-8-17/h1,3-4,7-12H,2,5-6,13-16H2,(H,22,25)(H,23,26)
InChIKeyZOQONOPRCDFPIS-UHFFFAOYSA-N
XLogP2.99
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 4-phenyl-N'-(3-piperidin-1-ylpropanoyl)benzohydrazide?
The IUPAC name of 4-phenyl-N'-(3-piperidin-1-ylpropanoyl)benzohydrazide (CID 9372733) is 4-phenyl-N'-(3-piperidin-1-ylpropanoyl)benzohydrazide.
What is the SMILES notation for 4-phenyl-N'-(3-piperidin-1-ylpropanoyl)benzohydrazide?
The canonical SMILES for 4-phenyl-N'-(3-piperidin-1-ylpropanoyl)benzohydrazide is O=C(CCN1CCCCC1)NNC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-phenyl-N'-(3-piperidin-1-ylpropanoyl)benzohydrazide?
The InChIKey is ZOQONOPRCDFPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c25-20(13-16-24-14-5-2-6-15-24)22-23-21(26)19-11-9-18(10-12-19)17-7-3-1-4-8-17/h1,3-4,7-12H,2,5-6,13-16H2,(H,22,25)(H,23,26).
What are the key properties of 4-phenyl-N'-(3-piperidin-1-ylpropanoyl)benzohydrazide?
4-phenyl-N'-(3-piperidin-1-ylpropanoyl)benzohydrazide has a molecular weight of 351.45 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N'-(3-piperidin-1-ylpropanoyl)benzohydrazide is sourced from PubChem (CID 9372733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).