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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Related Compounds

N'-[3-(2-chlorophenyl)propanoyl]-4-phenylbenzohydrazide
CID 17179113
N'-[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]benzohydrazide
CID 78787526
N'-(cyclopropanecarbonyl)-4-phenylbenzohydrazide
CID 833146
N'-[2-(2-oxo-1-pyridinyl)acetyl]-4-phenylbenzohydrazide
CID 9077512
N'-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]benzohydrazide
CID 8758998
N'-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanoyl]-4-phenoxybenzohydrazide
CID 9410359
3-(azepan-1-yl)-1-[4-[3-(azepan-1-yl)propanoyl]phenyl]propan-1-one;dihydrochloride
CID 52997576
N'-(2-morpholin-4-ylacetyl)benzohydrazide
CID 8903734
4-phenyl-N-(piperidine-1-carbothioyl)benzamide
CID 932770
N'-[2-(3-aminopiperidin-1-yl)acetyl]benzohydrazide
CID 61295576
N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-4-methylbenzohydrazide
CID 2672371
3-[3-(azepan-1-yl)propanoylamino]benzoic acid
CID 53215946

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).