methane;2-[4-[2-(4-methyl-1-oxidopiperazin-1-ium-1-yl)ethyl]-1-[2-(4-propylpiperazin-1-yl)ethyl]piperazin-1-ium-1-yl]acetohydrazide

C28H71N8O2+ — CID 165036756

IUPACmethane;2-[4-[2-(4-methyl-1-oxidopiperazin-1-ium-1-yl)ethyl]-1-[2-(4-propylpiperazin-1-yl)ethyl]piperazin-1-ium-1-yl]acetohydrazide
SMILESC.C.C.C.C.C.CCCN1CCN(CC[N+]2(CC(=O)NN)CCN(CC[N+]3([O-])CCN(C)CC3)CC2)CC1
InChIInChI=1S/C22H46N8O2.6CH4/c1-3-4-26-5-7-27(8-6-26)11-15-29(21-22(31)24-23)16-12-28(13-17-29)14-20-30(32)18-9-25(2)10-19-30;;;;;;/h3-21,23H2,1-2H3;6*1H4/p+1
InChIKeyNMIZNTNLTLODPY-UHFFFAOYSA-O
MW551.93 g/mol
LogP2.21
Rot. Bonds10

About methane;2-[4-[2-(4-methyl-1-oxidopiperazin-1-ium-1-yl)ethyl]-1-[2-(4-propylpiperazin-1-yl)ethyl]piperazin-1-ium-1-yl]acetohydrazide

methane;2-[4-[2-(4-methyl-1-oxidopiperazin-1-ium-1-yl)ethyl]-1-[2-(4-propylpiperazin-1-yl)ethyl]piperazin-1-ium-1-yl]acetohydrazide (PubChem CID 165036756) has the molecular formula C28H71N8O2+ and a molecular weight of 551.93 g/mol. Its IUPAC name is methane;2-[4-[2-(4-methyl-1-oxidopiperazin-1-ium-1-yl)ethyl]-1-[2-(4-propylpiperazin-1-yl)ethyl]piperazin-1-ium-1-yl]acetohydrazide.

Molecular Properties

Compound Namemethane;2-[4-[2-(4-methyl-1-oxidopiperazin-1-ium-1-yl)ethyl]-1-[2-(4-propylpiperazin-1-yl)ethyl]piperazin-1-ium-1-yl]acetohydrazide
PubChem CID165036756
Molecular FormulaC28H71N8O2+
Molecular Weight551.93 g/mol
Exact Mass551.57
IUPAC Namemethane;2-[4-[2-(4-methyl-1-oxidopiperazin-1-ium-1-yl)ethyl]-1-[2-(4-propylpiperazin-1-yl)ethyl]piperazin-1-ium-1-yl]acetohydrazide
SMILESC.C.C.C.C.C.CCCN1CCN(CC[N+]2(CC(=O)NN)CCN(CC[N+]3([O-])CCN(C)CC3)CC2)CC1
InChIInChI=1S/C22H46N8O2.6CH4/c1-3-4-26-5-7-27(8-6-26)11-15-29(21-22(31)24-23)16-12-28(13-17-29)14-20-30(32)18-9-25(2)10-19-30;;;;;;/h3-21,23H2,1-2H3;6*1H4/p+1
InChIKeyNMIZNTNLTLODPY-UHFFFAOYSA-O
XLogP2.21
TPSA91.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.93
LogP ≤ 52.21
H-Bond Donors ≤ 52
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'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N'-methyl-2-(4-methylpiperazin-1-yl)acetohydrazide
CID 159081191
2-[4-[2-(4-Methyl-1-oxidopiperazin-1-ium-1-yl)ethyl]-1-[2-(4-propylpiperazin-1-yl)ethyl]piperazin-1-ium-1-yl]acetohydrazide
CID 164793040

Frequently Asked Questions

What is the IUPAC name of methane;2-[4-[2-(4-methyl-1-oxidopiperazin-1-ium-1-yl)ethyl]-1-[2-(4-propylpiperazin-1-yl)ethyl]piperazin-1-ium-1-yl]acetohydrazide?
The IUPAC name of methane;2-[4-[2-(4-methyl-1-oxidopiperazin-1-ium-1-yl)ethyl]-1-[2-(4-propylpiperazin-1-yl)ethyl]piperazin-1-ium-1-yl]acetohydrazide (CID 165036756) is methane;2-[4-[2-(4-methyl-1-oxidopiperazin-1-ium-1-yl)ethyl]-1-[2-(4-propylpiperazin-1-yl)ethyl]piperazin-1-ium-1-yl]acetohydrazide.
What is the SMILES notation for methane;2-[4-[2-(4-methyl-1-oxidopiperazin-1-ium-1-yl)ethyl]-1-[2-(4-propylpiperazin-1-yl)ethyl]piperazin-1-ium-1-yl]acetohydrazide?
The canonical SMILES for methane;2-[4-[2-(4-methyl-1-oxidopiperazin-1-ium-1-yl)ethyl]-1-[2-(4-propylpiperazin-1-yl)ethyl]piperazin-1-ium-1-yl]acetohydrazide is C.C.C.C.C.C.CCCN1CCN(CC[N+]2(CC(=O)NN)CCN(CC[N+]3([O-])CCN(C)CC3)CC2)CC1.
What is the InChIKey of methane;2-[4-[2-(4-methyl-1-oxidopiperazin-1-ium-1-yl)ethyl]-1-[2-(4-propylpiperazin-1-yl)ethyl]piperazin-1-ium-1-yl]acetohydrazide?
The InChIKey is NMIZNTNLTLODPY-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H46N8O2.6CH4/c1-3-4-26-5-7-27(8-6-26)11-15-29(21-22(31)24-23)16-12-28(13-17-29)14-20-30(32)18-9-25(2)10-19-30;;;;;;/h3-21,23H2,1-2H3;6*1H4/p+1.
What are the key properties of methane;2-[4-[2-(4-methyl-1-oxidopiperazin-1-ium-1-yl)ethyl]-1-[2-(4-propylpiperazin-1-yl)ethyl]piperazin-1-ium-1-yl]acetohydrazide?
methane;2-[4-[2-(4-methyl-1-oxidopiperazin-1-ium-1-yl)ethyl]-1-[2-(4-propylpiperazin-1-yl)ethyl]piperazin-1-ium-1-yl]acetohydrazide has a molecular weight of 551.93 g/mol, XLogP of 2.21, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-[4-[2-(4-methyl-1-oxidopiperazin-1-ium-1-yl)ethyl]-1-[2-(4-propylpiperazin-1-yl)ethyl]piperazin-1-ium-1-yl]acetohydrazide is sourced from PubChem (CID 165036756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).