4-(4-methyl-3-oxo-1,4-diazepan-1-yl)pentanehydrazide

C11H22N4O2 — CID 102892939

IUPAC4-(4-methyl-3-oxo-1,4-diazepan-1-yl)pentanehydrazide
SMILESCC(CCC(=O)NN)N1CCCN(C)C(=O)C1
InChIInChI=1S/C11H22N4O2/c1-9(4-5-10(16)13-12)15-7-3-6-14(2)11(17)8-15/h9H,3-8,12H2,1-2H3,(H,13,16)
InChIKeyLDBHVQUBAQEDKX-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.69
Rot. Bonds4

About 4-(4-methyl-3-oxo-1,4-diazepan-1-yl)pentanehydrazide

4-(4-methyl-3-oxo-1,4-diazepan-1-yl)pentanehydrazide (PubChem CID 102892939) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-(4-methyl-3-oxo-1,4-diazepan-1-yl)pentanehydrazide.

Molecular Properties

Compound Name4-(4-methyl-3-oxo-1,4-diazepan-1-yl)pentanehydrazide
PubChem CID102892939
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC Name4-(4-methyl-3-oxo-1,4-diazepan-1-yl)pentanehydrazide
SMILESCC(CCC(=O)NN)N1CCCN(C)C(=O)C1
InChIInChI=1S/C11H22N4O2/c1-9(4-5-10(16)13-12)15-7-3-6-14(2)11(17)8-15/h9H,3-8,12H2,1-2H3,(H,13,16)
InChIKeyLDBHVQUBAQEDKX-UHFFFAOYSA-N
XLogP-0.69
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
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'}

Analyze 4-(4-methyl-3-oxo-1,4-diazepan-1-yl)pentanehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-oxo-1,4-diazepan-1-yl)pentanehydrazide
CID 65366409
6-(4-methyl-3-oxo-1,4-diazepan-1-yl)hexanehydrazide
CID 102892888
2-(4-methyl-3-oxo-1,4-diazepan-1-yl)propanamide
CID 102848257
4-(1,4-thiazepan-4-yl)pentanehydrazide
CID 63578775
4-(4-butan-2-ylpiperazin-1-yl)pentanehydrazide
CID 63573948
4-(3,4,5-trimethylpiperazin-1-yl)pentanehydrazide
CID 114540686
5-(4-methyl-3-oxopiperazin-1-yl)pentanehydrazide
CID 64693968
4-(4-piperidin-1-ylpiperidin-1-yl)pentanehydrazide
CID 63572847
4-(1,1-dioxo-1,4-thiazinan-4-yl)pentanehydrazide
CID 63571628
4-(3-piperidin-1-ylpyrrolidin-1-yl)pentanehydrazide
CID 63584460
4-(5-oxo-1,4-diazepan-1-yl)pentanehydrazide
CID 63584443
2-(4-methyl-3-oxo-1,4-diazepan-1-yl)butanoic acid
CID 102889475

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-3-oxo-1,4-diazepan-1-yl)pentanehydrazide?
The IUPAC name of 4-(4-methyl-3-oxo-1,4-diazepan-1-yl)pentanehydrazide (CID 102892939) is 4-(4-methyl-3-oxo-1,4-diazepan-1-yl)pentanehydrazide.
What is the SMILES notation for 4-(4-methyl-3-oxo-1,4-diazepan-1-yl)pentanehydrazide?
The canonical SMILES for 4-(4-methyl-3-oxo-1,4-diazepan-1-yl)pentanehydrazide is CC(CCC(=O)NN)N1CCCN(C)C(=O)C1.
What is the InChIKey of 4-(4-methyl-3-oxo-1,4-diazepan-1-yl)pentanehydrazide?
The InChIKey is LDBHVQUBAQEDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2/c1-9(4-5-10(16)13-12)15-7-3-6-14(2)11(17)8-15/h9H,3-8,12H2,1-2H3,(H,13,16).
What are the key properties of 4-(4-methyl-3-oxo-1,4-diazepan-1-yl)pentanehydrazide?
4-(4-methyl-3-oxo-1,4-diazepan-1-yl)pentanehydrazide has a molecular weight of 242.32 g/mol, XLogP of -0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-3-oxo-1,4-diazepan-1-yl)pentanehydrazide is sourced from PubChem (CID 102892939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).