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

C22H47N8O2+ — CID 164793040

IUPAC2-[4-[2-(4-methyl-1-oxidopiperazin-1-ium-1-yl)ethyl]-1-[2-(4-propylpiperazin-1-yl)ethyl]piperazin-1-ium-1-yl]acetohydrazide
SMILESCCCN1CCN(CC[N+]2(CC(=O)NN)CCN(CC[N+]3([O-])CCN(C)CC3)CC2)CC1
InChIInChI=1S/C22H46N8O2/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/p+1
InChIKeySCBLWPCBSZMCTB-UHFFFAOYSA-O
MW455.67 g/mol
LogP-1.60
Rot. Bonds10

About 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

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 164793040) has the molecular formula C22H47N8O2+ and a molecular weight of 455.67 g/mol. Its IUPAC name is 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 Name2-[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 CID164793040
Molecular FormulaC22H47N8O2+
Molecular Weight455.67 g/mol
Exact Mass455.38
IUPAC Name2-[4-[2-(4-methyl-1-oxidopiperazin-1-ium-1-yl)ethyl]-1-[2-(4-propylpiperazin-1-yl)ethyl]piperazin-1-ium-1-yl]acetohydrazide
SMILESCCCN1CCN(CC[N+]2(CC(=O)NN)CCN(CC[N+]3([O-])CCN(C)CC3)CC2)CC1
InChIInChI=1S/C22H46N8O2/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/p+1
InChIKeySCBLWPCBSZMCTB-UHFFFAOYSA-O
XLogP-1.60
TPSA91.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.67
LogP ≤ 5-1.60
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
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

Frequently Asked Questions

What is the IUPAC name of 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 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) is 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 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 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 CCCN1CCN(CC[N+]2(CC(=O)NN)CCN(CC[N+]3([O-])CCN(C)CC3)CC2)CC1.
What is the InChIKey of 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 SCBLWPCBSZMCTB-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H46N8O2/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/p+1.
What are the key properties of 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?
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 455.67 g/mol, XLogP of -1.60, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 164793040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).