(2-morpholin-4-yl-2-piperidin-1-ylpyrrolidin-1-yl)-(piperazin-1-yldiazenyl)oxydiazene

C17H33N9O2 — CID 148920644

IUPAC(2-morpholin-4-yl-2-piperidin-1-ylpyrrolidin-1-yl)-(piperazin-1-yldiazenyl)oxydiazene
SMILESC1CCN(C2(N3CCOCC3)CCCN2N=NON=NN2CCNCC2)CC1
InChIInChI=1S/C17H33N9O2/c1-2-8-23(9-3-1)17(24-13-15-27-16-14-24)5-4-10-26(17)20-22-28-21-19-25-11-6-18-7-12-25/h18H,1-16H2
InChIKeyHNDXRDXBZMEESB-UHFFFAOYSA-N
MW395.51 g/mol
LogP1.04
Rot. Bonds6

About (2-morpholin-4-yl-2-piperidin-1-ylpyrrolidin-1-yl)-(piperazin-1-yldiazenyl)oxydiazene

(2-morpholin-4-yl-2-piperidin-1-ylpyrrolidin-1-yl)-(piperazin-1-yldiazenyl)oxydiazene (PubChem CID 148920644) has the molecular formula C17H33N9O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-piperidin-1-ylpyrrolidin-1-yl)-(piperazin-1-yldiazenyl)oxydiazene.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-piperidin-1-ylpyrrolidin-1-yl)-(piperazin-1-yldiazenyl)oxydiazene
PubChem CID148920644
Molecular FormulaC17H33N9O2
Molecular Weight395.51 g/mol
Exact Mass395.28
IUPAC Name(2-morpholin-4-yl-2-piperidin-1-ylpyrrolidin-1-yl)-(piperazin-1-yldiazenyl)oxydiazene
SMILESC1CCN(C2(N3CCOCC3)CCCN2N=NON=NN2CCNCC2)CC1
InChIInChI=1S/C17H33N9O2/c1-2-8-23(9-3-1)17(24-13-15-27-16-14-24)5-4-10-26(17)20-22-28-21-19-25-11-6-18-7-12-25/h18H,1-16H2
InChIKeyHNDXRDXBZMEESB-UHFFFAOYSA-N
XLogP1.04
TPSA92.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(3-Piperidin-1-yl-3-pyrrolidin-1-ylpiperazin-2-yl)morpholine
CID 53663701
2,2-Di(piperidin-1-yl)-3-pyrrolidin-1-ylmorpholine
CID 56631290
1-N'-ethyl-1-N",2-dimorpholin-4-yl-1-N'-piperidin-1-yl-1-N"-propylethane-1,1,1-triamine
CID 57118991
1-morpholin-4-yl-N-[2-morpholin-4-yl-2-(3-piperidin-1-ylpropylamino)ethyl]propane-1,3-diamine
CID 57122865
3-Piperazin-1-yl-2-piperidin-1-yl-3-pyrrolidin-1-ylmorpholine
CID 90694084
4-(2-Piperazin-1-yl-2-piperidin-1-ylpyrrolidin-3-yl)morpholine
CID 91268362
1-N,1-N'-diethyl-1-N"-(1-methylpiperidin-1-ium-1-yl)-3-morpholin-4-yl-1-N-piperidin-1-yl-1-N"-propyl-1-N'-pyrrolidin-1-ylpropane-1,1,1,3-tetramine
CID 91461042
4-Piperazin-1-yl-3-piperidin-1-ylmorpholine
CID 140974046
4-Piperazin-1-yl-3-piperidin-1-yl-3-pyrrolidin-1-ylmorpholine
CID 140984973
4-Piperazin-1-yl-3-piperidin-1-yl-3-pyrrolidin-1-ylmorpholin-2-amine
CID 140995718
4-(1-Piperazin-1-yl-2-piperidin-1-ylpyrrolidin-2-yl)morpholine
CID 140997470
4-(1-Piperidin-1-ylpiperazin-2-yl)morpholine
CID 141019308

Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-2-piperidin-1-ylpyrrolidin-1-yl)-(piperazin-1-yldiazenyl)oxydiazene?
The IUPAC name of (2-morpholin-4-yl-2-piperidin-1-ylpyrrolidin-1-yl)-(piperazin-1-yldiazenyl)oxydiazene (CID 148920644) is (2-morpholin-4-yl-2-piperidin-1-ylpyrrolidin-1-yl)-(piperazin-1-yldiazenyl)oxydiazene.
What is the SMILES notation for (2-morpholin-4-yl-2-piperidin-1-ylpyrrolidin-1-yl)-(piperazin-1-yldiazenyl)oxydiazene?
The canonical SMILES for (2-morpholin-4-yl-2-piperidin-1-ylpyrrolidin-1-yl)-(piperazin-1-yldiazenyl)oxydiazene is C1CCN(C2(N3CCOCC3)CCCN2N=NON=NN2CCNCC2)CC1.
What is the InChIKey of (2-morpholin-4-yl-2-piperidin-1-ylpyrrolidin-1-yl)-(piperazin-1-yldiazenyl)oxydiazene?
The InChIKey is HNDXRDXBZMEESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N9O2/c1-2-8-23(9-3-1)17(24-13-15-27-16-14-24)5-4-10-26(17)20-22-28-21-19-25-11-6-18-7-12-25/h18H,1-16H2.
What are the key properties of (2-morpholin-4-yl-2-piperidin-1-ylpyrrolidin-1-yl)-(piperazin-1-yldiazenyl)oxydiazene?
(2-morpholin-4-yl-2-piperidin-1-ylpyrrolidin-1-yl)-(piperazin-1-yldiazenyl)oxydiazene has a molecular weight of 395.51 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-2-piperidin-1-ylpyrrolidin-1-yl)-(piperazin-1-yldiazenyl)oxydiazene is sourced from PubChem (CID 148920644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).