2-[2-(2,6-diazaspiro[3.4]octan-6-yl)-2,3,4-trimethyl-4-piperazin-1-ylpentan-3-yl]-2,7-diazaspiro[3.4]octane

C24H46N6 — CID 170364839

IUPAC2-[2-(2,6-diazaspiro[3.4]octan-6-yl)-2,3,4-trimethyl-4-piperazin-1-ylpentan-3-yl]-2,7-diazaspiro[3.4]octane
SMILESCC(C)(N1CCNCC1)C(C)(N1CC2(CCNC2)C1)C(C)(C)N1CCC2(CNC2)C1
InChIInChI=1S/C24H46N6/c1-20(2,28-12-9-25-10-13-28)22(5,30-18-24(19-30)6-8-26-16-24)21(3,4)29-11-7-23(17-29)14-27-15-23/h25-27H,6-19H2,1-5H3
InChIKeyCOPPLAGHSDZUCJ-UHFFFAOYSA-N
MW418.67 g/mol
LogP0.80
Rot. Bonds5

About 2-[2-(2,6-diazaspiro[3.4]octan-6-yl)-2,3,4-trimethyl-4-piperazin-1-ylpentan-3-yl]-2,7-diazaspiro[3.4]octane

2-[2-(2,6-diazaspiro[3.4]octan-6-yl)-2,3,4-trimethyl-4-piperazin-1-ylpentan-3-yl]-2,7-diazaspiro[3.4]octane (PubChem CID 170364839) has the molecular formula C24H46N6 and a molecular weight of 418.67 g/mol. Its IUPAC name is 2-[2-(2,6-diazaspiro[3.4]octan-6-yl)-2,3,4-trimethyl-4-piperazin-1-ylpentan-3-yl]-2,7-diazaspiro[3.4]octane.

Molecular Properties

Compound Name2-[2-(2,6-diazaspiro[3.4]octan-6-yl)-2,3,4-trimethyl-4-piperazin-1-ylpentan-3-yl]-2,7-diazaspiro[3.4]octane
PubChem CID170364839
Molecular FormulaC24H46N6
Molecular Weight418.67 g/mol
Exact Mass418.38
IUPAC Name2-[2-(2,6-diazaspiro[3.4]octan-6-yl)-2,3,4-trimethyl-4-piperazin-1-ylpentan-3-yl]-2,7-diazaspiro[3.4]octane
SMILESCC(C)(N1CCNCC1)C(C)(N1CC2(CCNC2)C1)C(C)(C)N1CCC2(CNC2)C1
InChIInChI=1S/C24H46N6/c1-20(2,28-12-9-25-10-13-28)22(5,30-18-24(19-30)6-8-26-16-24)21(3,4)29-11-7-23(17-29)14-27-15-23/h25-27H,6-19H2,1-5H3
InChIKeyCOPPLAGHSDZUCJ-UHFFFAOYSA-N
XLogP0.80
TPSA45.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.67
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[2-(2,6-diazaspiro[3.4]octan-6-yl)-2,3,4-trimethyl-4-piperazin-1-ylpentan-3-yl]-2,7-diazaspiro[3.4]octane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-diazaspiro[3.4]octan-6-yl)-2,3,4-trimethyl-4-piperazin-1-ylpentan-3-yl]-2,7-diazaspiro[3.4]octane?
The IUPAC name of 2-[2-(2,6-diazaspiro[3.4]octan-6-yl)-2,3,4-trimethyl-4-piperazin-1-ylpentan-3-yl]-2,7-diazaspiro[3.4]octane (CID 170364839) is 2-[2-(2,6-diazaspiro[3.4]octan-6-yl)-2,3,4-trimethyl-4-piperazin-1-ylpentan-3-yl]-2,7-diazaspiro[3.4]octane.
What is the SMILES notation for 2-[2-(2,6-diazaspiro[3.4]octan-6-yl)-2,3,4-trimethyl-4-piperazin-1-ylpentan-3-yl]-2,7-diazaspiro[3.4]octane?
The canonical SMILES for 2-[2-(2,6-diazaspiro[3.4]octan-6-yl)-2,3,4-trimethyl-4-piperazin-1-ylpentan-3-yl]-2,7-diazaspiro[3.4]octane is CC(C)(N1CCNCC1)C(C)(N1CC2(CCNC2)C1)C(C)(C)N1CCC2(CNC2)C1.
What is the InChIKey of 2-[2-(2,6-diazaspiro[3.4]octan-6-yl)-2,3,4-trimethyl-4-piperazin-1-ylpentan-3-yl]-2,7-diazaspiro[3.4]octane?
The InChIKey is COPPLAGHSDZUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46N6/c1-20(2,28-12-9-25-10-13-28)22(5,30-18-24(19-30)6-8-26-16-24)21(3,4)29-11-7-23(17-29)14-27-15-23/h25-27H,6-19H2,1-5H3.
What are the key properties of 2-[2-(2,6-diazaspiro[3.4]octan-6-yl)-2,3,4-trimethyl-4-piperazin-1-ylpentan-3-yl]-2,7-diazaspiro[3.4]octane?
2-[2-(2,6-diazaspiro[3.4]octan-6-yl)-2,3,4-trimethyl-4-piperazin-1-ylpentan-3-yl]-2,7-diazaspiro[3.4]octane has a molecular weight of 418.67 g/mol, XLogP of 0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-diazaspiro[3.4]octan-6-yl)-2,3,4-trimethyl-4-piperazin-1-ylpentan-3-yl]-2,7-diazaspiro[3.4]octane is sourced from PubChem (CID 170364839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).