3-(4-benzylpiperidin-1-yl)propanehydrazide

C15H23N3O — CID 63572694

IUPAC3-(4-benzylpiperidin-1-yl)propanehydrazide
SMILESNNC(=O)CCN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C15H23N3O/c16-17-15(19)8-11-18-9-6-14(7-10-18)12-13-4-2-1-3-5-13/h1-5,14H,6-12,16H2,(H,17,19)
InChIKeyJXJOVNJGOXVAPQ-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.32
Rot. Bonds5

About 3-(4-benzylpiperidin-1-yl)propanehydrazide

3-(4-benzylpiperidin-1-yl)propanehydrazide (PubChem CID 63572694) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-(4-benzylpiperidin-1-yl)propanehydrazide.

Molecular Properties

Compound Name3-(4-benzylpiperidin-1-yl)propanehydrazide
PubChem CID63572694
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-(4-benzylpiperidin-1-yl)propanehydrazide
SMILESNNC(=O)CCN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C15H23N3O/c16-17-15(19)8-11-18-9-6-14(7-10-18)12-13-4-2-1-3-5-13/h1-5,14H,6-12,16H2,(H,17,19)
InChIKeyJXJOVNJGOXVAPQ-UHFFFAOYSA-N
XLogP1.32
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(4-benzylpiperidin-1-yl)pentanehydrazide
CID 18621443
N-(4-acetamidophenyl)-3-(4-benzylpiperidin-1-yl)propanamide
CID 109032583
methyl 3-(4-benzylpiperidin-1-yl)propanoate
CID 43091070
3-(4-benzylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016578
3-(4-benzylpiperidin-1-yl)-2-methylpropanehydrazide
CID 63573249
3-(3-benzylpyrrolidin-1-yl)propanoic acid
CID 119138114
2-(4-benzylpiperidin-1-yl)ethylcarbamic acid
CID 166653471
3-(4-benzylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109032580
3-(4-benzylpiperidin-1-yl)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 109026321
3-(4-aminopiperidin-1-yl)propanehydrazide
CID 63577535
2-(4-benzylpiperidin-1-yl)acetamide
CID 6465422
3-(4-benzylpiperidin-1-yl)-N-(2,4-dimethylphenyl)propanamide
CID 109032554

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperidin-1-yl)propanehydrazide?
The IUPAC name of 3-(4-benzylpiperidin-1-yl)propanehydrazide (CID 63572694) is 3-(4-benzylpiperidin-1-yl)propanehydrazide.
What is the SMILES notation for 3-(4-benzylpiperidin-1-yl)propanehydrazide?
The canonical SMILES for 3-(4-benzylpiperidin-1-yl)propanehydrazide is NNC(=O)CCN1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 3-(4-benzylpiperidin-1-yl)propanehydrazide?
The InChIKey is JXJOVNJGOXVAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c16-17-15(19)8-11-18-9-6-14(7-10-18)12-13-4-2-1-3-5-13/h1-5,14H,6-12,16H2,(H,17,19).
What are the key properties of 3-(4-benzylpiperidin-1-yl)propanehydrazide?
3-(4-benzylpiperidin-1-yl)propanehydrazide has a molecular weight of 261.37 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperidin-1-yl)propanehydrazide is sourced from PubChem (CID 63572694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).