1-(4-hydrazinyl-4-oxobutyl)-6-methylpiperidine-3-carboxamide

C11H22N4O2 — CID 63585802

IUPAC1-(4-hydrazinyl-4-oxobutyl)-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1CCCC(=O)NN
InChIInChI=1S/C11H22N4O2/c1-8-4-5-9(11(12)17)7-15(8)6-2-3-10(16)14-13/h8-9H,2-7,13H2,1H3,(H2,12,17)(H,14,16)
InChIKeyIGPJIJOKUZQRQY-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.66
Rot. Bonds5

About 1-(4-hydrazinyl-4-oxobutyl)-6-methylpiperidine-3-carboxamide

1-(4-hydrazinyl-4-oxobutyl)-6-methylpiperidine-3-carboxamide (PubChem CID 63585802) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(4-hydrazinyl-4-oxobutyl)-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-hydrazinyl-4-oxobutyl)-6-methylpiperidine-3-carboxamide
PubChem CID63585802
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC Name1-(4-hydrazinyl-4-oxobutyl)-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1CCCC(=O)NN
InChIInChI=1S/C11H22N4O2/c1-8-4-5-9(11(12)17)7-15(8)6-2-3-10(16)14-13/h8-9H,2-7,13H2,1H3,(H2,12,17)(H,14,16)
InChIKeyIGPJIJOKUZQRQY-UHFFFAOYSA-N
XLogP-0.66
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydrazinyl-4-oxobutyl)-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(4-hydrazinyl-4-oxobutyl)-6-methylpiperidine-3-carboxamide (CID 63585802) is 1-(4-hydrazinyl-4-oxobutyl)-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(4-hydrazinyl-4-oxobutyl)-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(4-hydrazinyl-4-oxobutyl)-6-methylpiperidine-3-carboxamide is CC1CCC(C(N)=O)CN1CCCC(=O)NN.
What is the InChIKey of 1-(4-hydrazinyl-4-oxobutyl)-6-methylpiperidine-3-carboxamide?
The InChIKey is IGPJIJOKUZQRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2/c1-8-4-5-9(11(12)17)7-15(8)6-2-3-10(16)14-13/h8-9H,2-7,13H2,1H3,(H2,12,17)(H,14,16).
What are the key properties of 1-(4-hydrazinyl-4-oxobutyl)-6-methylpiperidine-3-carboxamide?
1-(4-hydrazinyl-4-oxobutyl)-6-methylpiperidine-3-carboxamide has a molecular weight of 242.32 g/mol, XLogP of -0.66, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydrazinyl-4-oxobutyl)-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 63585802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).