2-methyl-3-(2-methyl-3-oxopiperazin-1-yl)propanehydrazide

C9H18N4O2 — CID 63606023

IUPAC2-methyl-3-(2-methyl-3-oxopiperazin-1-yl)propanehydrazide
SMILESCC(CN1CCNC(=O)C1C)C(=O)NN
InChIInChI=1S/C9H18N4O2/c1-6(8(14)12-10)5-13-4-3-11-9(15)7(13)2/h6-7H,3-5,10H2,1-2H3,(H,11,15)(H,12,14)
InChIKeyDTCBMZMNMGBAAD-UHFFFAOYSA-N
MW214.27 g/mol
LogP-1.57
Rot. Bonds3

About 2-methyl-3-(2-methyl-3-oxopiperazin-1-yl)propanehydrazide

2-methyl-3-(2-methyl-3-oxopiperazin-1-yl)propanehydrazide (PubChem CID 63606023) has the molecular formula C9H18N4O2 and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-methyl-3-(2-methyl-3-oxopiperazin-1-yl)propanehydrazide.

Molecular Properties

Compound Name2-methyl-3-(2-methyl-3-oxopiperazin-1-yl)propanehydrazide
PubChem CID63606023
Molecular FormulaC9H18N4O2
Molecular Weight214.27 g/mol
Exact Mass214.14
IUPAC Name2-methyl-3-(2-methyl-3-oxopiperazin-1-yl)propanehydrazide
SMILESCC(CN1CCNC(=O)C1C)C(=O)NN
InChIInChI=1S/C9H18N4O2/c1-6(8(14)12-10)5-13-4-3-11-9(15)7(13)2/h6-7H,3-5,10H2,1-2H3,(H,11,15)(H,12,14)
InChIKeyDTCBMZMNMGBAAD-UHFFFAOYSA-N
XLogP-1.57
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 5-1.57
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 2-methyl-3-(2-methyl-3-oxopiperazin-1-yl)propanehydrazide?
The IUPAC name of 2-methyl-3-(2-methyl-3-oxopiperazin-1-yl)propanehydrazide (CID 63606023) is 2-methyl-3-(2-methyl-3-oxopiperazin-1-yl)propanehydrazide.
What is the SMILES notation for 2-methyl-3-(2-methyl-3-oxopiperazin-1-yl)propanehydrazide?
The canonical SMILES for 2-methyl-3-(2-methyl-3-oxopiperazin-1-yl)propanehydrazide is CC(CN1CCNC(=O)C1C)C(=O)NN.
What is the InChIKey of 2-methyl-3-(2-methyl-3-oxopiperazin-1-yl)propanehydrazide?
The InChIKey is DTCBMZMNMGBAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2/c1-6(8(14)12-10)5-13-4-3-11-9(15)7(13)2/h6-7H,3-5,10H2,1-2H3,(H,11,15)(H,12,14).
What are the key properties of 2-methyl-3-(2-methyl-3-oxopiperazin-1-yl)propanehydrazide?
2-methyl-3-(2-methyl-3-oxopiperazin-1-yl)propanehydrazide has a molecular weight of 214.27 g/mol, XLogP of -1.57, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methyl-3-oxopiperazin-1-yl)propanehydrazide is sourced from PubChem (CID 63606023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).