4-(4-butan-2-ylpiperazin-1-yl)pentanehydrazide

C13H28N4O — CID 63573948

IUPAC4-(4-butan-2-ylpiperazin-1-yl)pentanehydrazide
SMILESCCC(C)N1CCN(C(C)CCC(=O)NN)CC1
InChIInChI=1S/C13H28N4O/c1-4-11(2)16-7-9-17(10-8-16)12(3)5-6-13(18)15-14/h11-12H,4-10,14H2,1-3H3,(H,15,18)
InChIKeyVCNMXDYRNAEBFZ-UHFFFAOYSA-N
MW256.39 g/mol
LogP0.56
Rot. Bonds6

About 4-(4-butan-2-ylpiperazin-1-yl)pentanehydrazide

4-(4-butan-2-ylpiperazin-1-yl)pentanehydrazide (PubChem CID 63573948) has the molecular formula C13H28N4O and a molecular weight of 256.39 g/mol. Its IUPAC name is 4-(4-butan-2-ylpiperazin-1-yl)pentanehydrazide.

Molecular Properties

Compound Name4-(4-butan-2-ylpiperazin-1-yl)pentanehydrazide
PubChem CID63573948
Molecular FormulaC13H28N4O
Molecular Weight256.39 g/mol
Exact Mass256.23
IUPAC Name4-(4-butan-2-ylpiperazin-1-yl)pentanehydrazide
SMILESCCC(C)N1CCN(C(C)CCC(=O)NN)CC1
InChIInChI=1S/C13H28N4O/c1-4-11(2)16-7-9-17(10-8-16)12(3)5-6-13(18)15-14/h11-12H,4-10,14H2,1-3H3,(H,15,18)
InChIKeyVCNMXDYRNAEBFZ-UHFFFAOYSA-N
XLogP0.56
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 50.56
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'}

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Related Compounds

3-(4-butan-2-ylpiperazin-1-yl)butanehydrazide
CID 63573949
4-(1,1-dioxo-1,4-thiazinan-4-yl)pentanehydrazide
CID 63571628
4-(1,4-thiazepan-4-yl)pentanehydrazide
CID 63578775
4-(3,4,5-trimethylpiperazin-1-yl)pentanehydrazide
CID 114540686
4-(4-piperidin-1-ylpiperidin-1-yl)pentanehydrazide
CID 63572847
4-(5-oxo-1,4-diazepan-1-yl)pentanehydrazide
CID 63584443
4-(4-hydroxy-3-methylpiperidin-1-yl)pentanehydrazide
CID 114683804
4-(3-piperidin-1-ylpyrrolidin-1-yl)pentanehydrazide
CID 63584460
4-(4-methyl-3-oxo-1,4-diazepan-1-yl)pentanehydrazide
CID 102892939
4-(3-oxo-1,4-diazepan-1-yl)pentanehydrazide
CID 65366409
3-(4-butan-2-ylpiperazin-1-yl)propanamide
CID 62772700
4-butan-2-ylpiperazine-1-sulfonamide
CID 112692809

Frequently Asked Questions

What is the IUPAC name of 4-(4-butan-2-ylpiperazin-1-yl)pentanehydrazide?
The IUPAC name of 4-(4-butan-2-ylpiperazin-1-yl)pentanehydrazide (CID 63573948) is 4-(4-butan-2-ylpiperazin-1-yl)pentanehydrazide.
What is the SMILES notation for 4-(4-butan-2-ylpiperazin-1-yl)pentanehydrazide?
The canonical SMILES for 4-(4-butan-2-ylpiperazin-1-yl)pentanehydrazide is CCC(C)N1CCN(C(C)CCC(=O)NN)CC1.
What is the InChIKey of 4-(4-butan-2-ylpiperazin-1-yl)pentanehydrazide?
The InChIKey is VCNMXDYRNAEBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O/c1-4-11(2)16-7-9-17(10-8-16)12(3)5-6-13(18)15-14/h11-12H,4-10,14H2,1-3H3,(H,15,18).
What are the key properties of 4-(4-butan-2-ylpiperazin-1-yl)pentanehydrazide?
4-(4-butan-2-ylpiperazin-1-yl)pentanehydrazide has a molecular weight of 256.39 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butan-2-ylpiperazin-1-yl)pentanehydrazide is sourced from PubChem (CID 63573948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).