methane;N-methyl-2-(4-methylpiperazin-1-yl)acetamide;2-(4-methylpiperazin-1-yl)acetohydrazide

C16H37N7O2 — CID 158301673

IUPACmethane;N-methyl-2-(4-methylpiperazin-1-yl)acetamide;2-(4-methylpiperazin-1-yl)acetohydrazide
SMILESC.CN1CCN(CC(=O)NN)CC1.CNC(=O)CN1CCN(C)CC1
InChIInChI=1S/C8H17N3O.C7H16N4O.CH4/c1-9-8(12)7-11-5-3-10(2)4-6-11;1-10-2-4-11(5-3-10)6-7(12)9-8;/h3-7H2,1-2H3,(H,9,12);2-6,8H2,1H3,(H,9,12);1H4
InChIKeyGMOLUXKVGHSLOC-UHFFFAOYSA-N
MW359.52 g/mol
LogP-2.16
Rot. Bonds4

About methane;N-methyl-2-(4-methylpiperazin-1-yl)acetamide;2-(4-methylpiperazin-1-yl)acetohydrazide

methane;N-methyl-2-(4-methylpiperazin-1-yl)acetamide;2-(4-methylpiperazin-1-yl)acetohydrazide (PubChem CID 158301673) has the molecular formula C16H37N7O2 and a molecular weight of 359.52 g/mol. Its IUPAC name is methane;N-methyl-2-(4-methylpiperazin-1-yl)acetamide;2-(4-methylpiperazin-1-yl)acetohydrazide.

Molecular Properties

Compound Namemethane;N-methyl-2-(4-methylpiperazin-1-yl)acetamide;2-(4-methylpiperazin-1-yl)acetohydrazide
PubChem CID158301673
Molecular FormulaC16H37N7O2
Molecular Weight359.52 g/mol
Exact Mass359.30
IUPAC Namemethane;N-methyl-2-(4-methylpiperazin-1-yl)acetamide;2-(4-methylpiperazin-1-yl)acetohydrazide
SMILESC.CN1CCN(CC(=O)NN)CC1.CNC(=O)CN1CCN(C)CC1
InChIInChI=1S/C8H17N3O.C7H16N4O.CH4/c1-9-8(12)7-11-5-3-10(2)4-6-11;1-10-2-4-11(5-3-10)6-7(12)9-8;/h3-7H2,1-2H3,(H,9,12);2-6,8H2,1H3,(H,9,12);1H4
InChIKeyGMOLUXKVGHSLOC-UHFFFAOYSA-N
XLogP-2.16
TPSA97.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 5-2.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

2-(4-acetylpiperazinyl)-N-aminoacetamide
CID 22479754
N-(4-methylpiperazin-1-yl)-2-piperazin-1-ylacetamide
CID 53700423
3,3,4,5,5-Pentamethyl-1-[2-[(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)amino]ethyl]piperazin-2-one
CID 57652874
N'-methyl-2-(4-methylpiperazin-1-yl)acetohydrazide
CID 59817251
N'-acetyl-2-(4-methylpiperazin-1-yl)acetohydrazide
CID 70311898
N',N'-dimethyl-2-piperazin-1-ylacetohydrazide
CID 83021939
2-[4-(2-Hydrazinyl-2-oxoethyl)-1,4-dimethylpiperazine-1,4-diium-1-yl]acetohydrazide
CID 129104105
N,2-di(piperazin-1-yl)acetamide;dihydrochloride
CID 141006486
ethane;N-methyl-2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]acetamide
CID 142390383
Ethane;4-methyl-1-(3-oxopiperazin-1-yl)piperazin-2-one
CID 143164521
Ethane;2-[4-(methylamino)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 156836891
ethane;N-methyl-2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]acetamide
CID 156866921

Frequently Asked Questions

What is the IUPAC name of methane;N-methyl-2-(4-methylpiperazin-1-yl)acetamide;2-(4-methylpiperazin-1-yl)acetohydrazide?
The IUPAC name of methane;N-methyl-2-(4-methylpiperazin-1-yl)acetamide;2-(4-methylpiperazin-1-yl)acetohydrazide (CID 158301673) is methane;N-methyl-2-(4-methylpiperazin-1-yl)acetamide;2-(4-methylpiperazin-1-yl)acetohydrazide.
What is the SMILES notation for methane;N-methyl-2-(4-methylpiperazin-1-yl)acetamide;2-(4-methylpiperazin-1-yl)acetohydrazide?
The canonical SMILES for methane;N-methyl-2-(4-methylpiperazin-1-yl)acetamide;2-(4-methylpiperazin-1-yl)acetohydrazide is C.CN1CCN(CC(=O)NN)CC1.CNC(=O)CN1CCN(C)CC1.
What is the InChIKey of methane;N-methyl-2-(4-methylpiperazin-1-yl)acetamide;2-(4-methylpiperazin-1-yl)acetohydrazide?
The InChIKey is GMOLUXKVGHSLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O.C7H16N4O.CH4/c1-9-8(12)7-11-5-3-10(2)4-6-11;1-10-2-4-11(5-3-10)6-7(12)9-8;/h3-7H2,1-2H3,(H,9,12);2-6,8H2,1H3,(H,9,12);1H4.
What are the key properties of methane;N-methyl-2-(4-methylpiperazin-1-yl)acetamide;2-(4-methylpiperazin-1-yl)acetohydrazide?
methane;N-methyl-2-(4-methylpiperazin-1-yl)acetamide;2-(4-methylpiperazin-1-yl)acetohydrazide has a molecular weight of 359.52 g/mol, XLogP of -2.16, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methane;N-methyl-2-(4-methylpiperazin-1-yl)acetamide;2-(4-methylpiperazin-1-yl)acetohydrazide is sourced from PubChem (CID 158301673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).