N'-methyl-2-(4-methylpiperazin-1-yl)acetohydrazide

C48H108N24O6 — CID 159512084

IUPACN'-methyl-2-(4-methylpiperazin-1-yl)acetohydrazide
SMILESCNNC(=O)CN1CCN(C)CC1.CNNC(=O)CN1CCN(C)CC1.CNNC(=O)CN1CCN(C)CC1.CNNC(=O)CN1CCN(C)CC1.CNNC(=O)CN1CCN(C)CC1.CNNC(=O)CN1CCN(C)CC1
InChIInChI=1S/6C8H18N4O/c6*1-9-10-8(13)7-12-5-3-11(2)4-6-12/h6*9H,3-7H2,1-2H3,(H,10,13)
InChIKeyMASPRTSTAMRWQU-UHFFFAOYSA-N
MW1117.55 g/mol
LogP-9.09
Rot. Bonds18

About N'-methyl-2-(4-methylpiperazin-1-yl)acetohydrazide

N'-methyl-2-(4-methylpiperazin-1-yl)acetohydrazide (PubChem CID 159512084) has the molecular formula C48H108N24O6 and a molecular weight of 1117.55 g/mol. Its IUPAC name is N'-methyl-2-(4-methylpiperazin-1-yl)acetohydrazide.

Molecular Properties

Compound NameN'-methyl-2-(4-methylpiperazin-1-yl)acetohydrazide
PubChem CID159512084
Molecular FormulaC48H108N24O6
Molecular Weight1117.55 g/mol
Exact Mass1116.89
IUPAC NameN'-methyl-2-(4-methylpiperazin-1-yl)acetohydrazide
SMILESCNNC(=O)CN1CCN(C)CC1.CNNC(=O)CN1CCN(C)CC1.CNNC(=O)CN1CCN(C)CC1.CNNC(=O)CN1CCN(C)CC1.CNNC(=O)CN1CCN(C)CC1.CNNC(=O)CN1CCN(C)CC1
InChIInChI=1S/6C8H18N4O/c6*1-9-10-8(13)7-12-5-3-11(2)4-6-12/h6*9H,3-7H2,1-2H3,(H,10,13)
InChIKeyMASPRTSTAMRWQU-UHFFFAOYSA-N
XLogP-9.09
TPSA285.66 Ų
H-Bond Donors12
H-Bond Acceptors24
Rotatable Bonds18
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001117.55
LogP ≤ 5-9.09
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methane;tris(N-methyl-2-(4-methylpiperazin-1-yl)acetamide);2-(4-methylpiperazin-1-yl)acetohydrazide
CID 157091663
methane;octakis(N'-methyl-2-(4-methylpiperazin-1-yl)acetohydrazide)
CID 158683385
methane;dodecakis(N'-methyl-2-(4-methylpiperazin-1-yl)acetohydrazide)
CID 160986951
methane;hexakis(N'-methyl-2-(4-methylpiperazin-1-yl)acetohydrazide)
CID 161694149
N'-methyl-2-(4-methylpiperazin-1-yl)acetohydrazide
CID 162016115

Frequently Asked Questions

What is the IUPAC name of N'-methyl-2-(4-methylpiperazin-1-yl)acetohydrazide?
The IUPAC name of N'-methyl-2-(4-methylpiperazin-1-yl)acetohydrazide (CID 159512084) is N'-methyl-2-(4-methylpiperazin-1-yl)acetohydrazide.
What is the SMILES notation for N'-methyl-2-(4-methylpiperazin-1-yl)acetohydrazide?
The canonical SMILES for N'-methyl-2-(4-methylpiperazin-1-yl)acetohydrazide is CNNC(=O)CN1CCN(C)CC1.CNNC(=O)CN1CCN(C)CC1.CNNC(=O)CN1CCN(C)CC1.CNNC(=O)CN1CCN(C)CC1.CNNC(=O)CN1CCN(C)CC1.CNNC(=O)CN1CCN(C)CC1.
What is the InChIKey of N'-methyl-2-(4-methylpiperazin-1-yl)acetohydrazide?
The InChIKey is MASPRTSTAMRWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/6C8H18N4O/c6*1-9-10-8(13)7-12-5-3-11(2)4-6-12/h6*9H,3-7H2,1-2H3,(H,10,13).
What are the key properties of N'-methyl-2-(4-methylpiperazin-1-yl)acetohydrazide?
N'-methyl-2-(4-methylpiperazin-1-yl)acetohydrazide has a molecular weight of 1117.55 g/mol, XLogP of -9.09, 18 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-2-(4-methylpiperazin-1-yl)acetohydrazide is sourced from PubChem (CID 159512084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).