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

C17H40N8O2 — CID 158595471

IUPACN-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide;methane;2-(4-methylpiperazin-1-yl)acetohydrazide
SMILESC.CN1CCN(CC(=O)NCCN)CC1.CN1CCN(CC(=O)NN)CC1
InChIInChI=1S/C9H20N4O.C7H16N4O.CH4/c1-12-4-6-13(7-5-12)8-9(14)11-3-2-10;1-10-2-4-11(5-3-10)6-7(12)9-8;/h2-8,10H2,1H3,(H,11,14);2-6,8H2,1H3,(H,9,12);1H4
InChIKeyHUYYLQGIIIISTA-UHFFFAOYSA-N
MW388.56 g/mol
LogP-2.83
Rot. Bonds6

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

N-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide;methane;2-(4-methylpiperazin-1-yl)acetohydrazide (PubChem CID 158595471) has the molecular formula C17H40N8O2 and a molecular weight of 388.56 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide;methane;2-(4-methylpiperazin-1-yl)acetohydrazide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide;methane;2-(4-methylpiperazin-1-yl)acetohydrazide
PubChem CID158595471
Molecular FormulaC17H40N8O2
Molecular Weight388.56 g/mol
Exact Mass388.33
IUPAC NameN-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide;methane;2-(4-methylpiperazin-1-yl)acetohydrazide
SMILESC.CN1CCN(CC(=O)NCCN)CC1.CN1CCN(CC(=O)NN)CC1
InChIInChI=1S/C9H20N4O.C7H16N4O.CH4/c1-12-4-6-13(7-5-12)8-9(14)11-3-2-10;1-10-2-4-11(5-3-10)6-7(12)9-8;/h2-8,10H2,1H3,(H,11,14);2-6,8H2,1H3,(H,9,12);1H4
InChIKeyHUYYLQGIIIISTA-UHFFFAOYSA-N
XLogP-2.83
TPSA123.20 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 5-2.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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'}

Analyze N-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide;methane;2-(4-methylpiperazin-1-yl)acetohydrazide with MolForge

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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
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
methane;tris(N-methyl-2-(4-methylpiperazin-1-yl)acetamide);2-(4-methylpiperazin-1-yl)acetohydrazide
CID 157091663
N-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 157209185
bis(N-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide);methane
CID 157343011
methane;N-methyl-2-(4-methylpiperazin-1-yl)acetamide;2-(4-methylpiperazin-1-yl)acetohydrazide
CID 158301673
N-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide;2-(4-methylpiperazin-1-yl)acetohydrazide
CID 158397719
N'-methyl-2-(4-methylpiperazin-1-yl)acetohydrazide
CID 159081191
1-(4-Methyl-2-oxopiperazin-1-yl)piperazine-2,5-dione
CID 174178264

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide;methane;2-(4-methylpiperazin-1-yl)acetohydrazide?
The IUPAC name of N-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide;methane;2-(4-methylpiperazin-1-yl)acetohydrazide (CID 158595471) is N-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide;methane;2-(4-methylpiperazin-1-yl)acetohydrazide.
What is the SMILES notation for N-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide;methane;2-(4-methylpiperazin-1-yl)acetohydrazide?
The canonical SMILES for N-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide;methane;2-(4-methylpiperazin-1-yl)acetohydrazide is C.CN1CCN(CC(=O)NCCN)CC1.CN1CCN(CC(=O)NN)CC1.
What is the InChIKey of N-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide;methane;2-(4-methylpiperazin-1-yl)acetohydrazide?
The InChIKey is HUYYLQGIIIISTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O.C7H16N4O.CH4/c1-12-4-6-13(7-5-12)8-9(14)11-3-2-10;1-10-2-4-11(5-3-10)6-7(12)9-8;/h2-8,10H2,1H3,(H,11,14);2-6,8H2,1H3,(H,9,12);1H4.
What are the key properties of N-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide;methane;2-(4-methylpiperazin-1-yl)acetohydrazide?
N-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide;methane;2-(4-methylpiperazin-1-yl)acetohydrazide has a molecular weight of 388.56 g/mol, XLogP of -2.83, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide;methane;2-(4-methylpiperazin-1-yl)acetohydrazide is sourced from PubChem (CID 158595471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).