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

C64H144N32O8 — CID 162016115

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.CNNC(=O)CN1CCN(C)CC1.CNNC(=O)CN1CCN(C)CC1
InChIInChI=1S/8C8H18N4O/c8*1-9-10-8(13)7-12-5-3-11(2)4-6-12/h8*9H,3-7H2,1-2H3,(H,10,13)
InChIKeyYUCYHXMSPHKCDC-UHFFFAOYSA-N
MW1490.07 g/mol
LogP-12.12
Rot. Bonds24

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

N'-methyl-2-(4-methylpiperazin-1-yl)acetohydrazide (PubChem CID 162016115) has the molecular formula C64H144N32O8 and a molecular weight of 1490.07 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 CID162016115
Molecular FormulaC64H144N32O8
Molecular Weight1490.07 g/mol
Exact Mass1489.18
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.CNNC(=O)CN1CCN(C)CC1.CNNC(=O)CN1CCN(C)CC1
InChIInChI=1S/8C8H18N4O/c8*1-9-10-8(13)7-12-5-3-11(2)4-6-12/h8*9H,3-7H2,1-2H3,(H,10,13)
InChIKeyYUCYHXMSPHKCDC-UHFFFAOYSA-N
XLogP-12.12
TPSA380.88 Ų
H-Bond Donors16
H-Bond Acceptors32
Rotatable Bonds24
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001490.07
LogP ≤ 5-12.12
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1032

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
N'-methyl-2-(4-methylpiperazin-1-yl)acetohydrazide
CID 159512084
methane;dodecakis(N'-methyl-2-(4-methylpiperazin-1-yl)acetohydrazide)
CID 160986951
methane;hexakis(N'-methyl-2-(4-methylpiperazin-1-yl)acetohydrazide)
CID 161694149

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 162016115) 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.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 YUCYHXMSPHKCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/8C8H18N4O/c8*1-9-10-8(13)7-12-5-3-11(2)4-6-12/h8*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 1490.07 g/mol, XLogP of -12.12, 24 rotatable bonds, 16 hydrogen bond donors, and 32 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 162016115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).