4-(3,5-dimethylpiperidin-1-yl)-4-oxo-N'-propanoylbutanehydrazide

C14H25N3O3 — CID 51362146

IUPAC4-(3,5-dimethylpiperidin-1-yl)-4-oxo-N'-propanoylbutanehydrazide
SMILESCCC(=O)NNC(=O)CCC(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C14H25N3O3/c1-4-12(18)15-16-13(19)5-6-14(20)17-8-10(2)7-11(3)9-17/h10-11H,4-9H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyWYXQCMNCKWYDGV-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.83
Rot. Bonds4

About 4-(3,5-dimethylpiperidin-1-yl)-4-oxo-N'-propanoylbutanehydrazide

4-(3,5-dimethylpiperidin-1-yl)-4-oxo-N'-propanoylbutanehydrazide (PubChem CID 51362146) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 4-(3,5-dimethylpiperidin-1-yl)-4-oxo-N'-propanoylbutanehydrazide.

Molecular Properties

Compound Name4-(3,5-dimethylpiperidin-1-yl)-4-oxo-N'-propanoylbutanehydrazide
PubChem CID51362146
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name4-(3,5-dimethylpiperidin-1-yl)-4-oxo-N'-propanoylbutanehydrazide
SMILESCCC(=O)NNC(=O)CCC(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C14H25N3O3/c1-4-12(18)15-16-13(19)5-6-14(20)17-8-10(2)7-11(3)9-17/h10-11H,4-9H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyWYXQCMNCKWYDGV-UHFFFAOYSA-N
XLogP0.83
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.83
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-(3,5-dimethylpiperidin-1-yl)-4-oxo-N'-propanoylbutanehydrazide?
The IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)-4-oxo-N'-propanoylbutanehydrazide (CID 51362146) is 4-(3,5-dimethylpiperidin-1-yl)-4-oxo-N'-propanoylbutanehydrazide.
What is the SMILES notation for 4-(3,5-dimethylpiperidin-1-yl)-4-oxo-N'-propanoylbutanehydrazide?
The canonical SMILES for 4-(3,5-dimethylpiperidin-1-yl)-4-oxo-N'-propanoylbutanehydrazide is CCC(=O)NNC(=O)CCC(=O)N1CC(C)CC(C)C1.
What is the InChIKey of 4-(3,5-dimethylpiperidin-1-yl)-4-oxo-N'-propanoylbutanehydrazide?
The InChIKey is WYXQCMNCKWYDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-4-12(18)15-16-13(19)5-6-14(20)17-8-10(2)7-11(3)9-17/h10-11H,4-9H2,1-3H3,(H,15,18)(H,16,19).
What are the key properties of 4-(3,5-dimethylpiperidin-1-yl)-4-oxo-N'-propanoylbutanehydrazide?
4-(3,5-dimethylpiperidin-1-yl)-4-oxo-N'-propanoylbutanehydrazide has a molecular weight of 283.37 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpiperidin-1-yl)-4-oxo-N'-propanoylbutanehydrazide is sourced from PubChem (CID 51362146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).