5-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)pentanehydrazide

C12H21N3O3 — CID 55213101

IUPAC5-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)pentanehydrazide
SMILESCC1(C)CC(=O)N(CCCCC(=O)NN)C(=O)C1
InChIInChI=1S/C12H21N3O3/c1-12(2)7-10(17)15(11(18)8-12)6-4-3-5-9(16)14-13/h3-8,13H2,1-2H3,(H,14,16)
InChIKeyZKDHDHFMQWQQQO-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.32
Rot. Bonds5

About 5-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)pentanehydrazide

5-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)pentanehydrazide (PubChem CID 55213101) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 5-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)pentanehydrazide.

Molecular Properties

Compound Name5-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)pentanehydrazide
PubChem CID55213101
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name5-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)pentanehydrazide
SMILESCC1(C)CC(=O)N(CCCCC(=O)NN)C(=O)C1
InChIInChI=1S/C12H21N3O3/c1-12(2)7-10(17)15(11(18)8-12)6-4-3-5-9(16)14-13/h3-8,13H2,1-2H3,(H,14,16)
InChIKeyZKDHDHFMQWQQQO-UHFFFAOYSA-N
XLogP0.32
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)pentanehydrazide?
The IUPAC name of 5-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)pentanehydrazide (CID 55213101) is 5-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)pentanehydrazide.
What is the SMILES notation for 5-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)pentanehydrazide?
The canonical SMILES for 5-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)pentanehydrazide is CC1(C)CC(=O)N(CCCCC(=O)NN)C(=O)C1.
What is the InChIKey of 5-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)pentanehydrazide?
The InChIKey is ZKDHDHFMQWQQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-12(2)7-10(17)15(11(18)8-12)6-4-3-5-9(16)14-13/h3-8,13H2,1-2H3,(H,14,16).
What are the key properties of 5-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)pentanehydrazide?
5-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)pentanehydrazide has a molecular weight of 255.32 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)pentanehydrazide is sourced from PubChem (CID 55213101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).