2-[8-(2,6-diazaspiro[3.4]octan-6-yl)-5-piperazin-1-ylnonan-2-yl]-2,7-diazaspiro[3.4]octane

C25H48N6 — CID 170423047

IUPAC2-[8-(2,6-diazaspiro[3.4]octan-6-yl)-5-piperazin-1-ylnonan-2-yl]-2,7-diazaspiro[3.4]octane
SMILESCC(CCC(CCC(C)N1CC2(CCNC2)C1)N1CCNCC1)N1CCC2(CNC2)C1
InChIInChI=1S/C25H48N6/c1-21(30-12-8-24(18-30)15-28-16-24)3-5-23(29-13-10-26-11-14-29)6-4-22(2)31-19-25(20-31)7-9-27-17-25/h21-23,26-28H,3-20H2,1-2H3
InChIKeyYFOYQASTSMUVIV-UHFFFAOYSA-N
MW432.70 g/mol
LogP1.19
Rot. Bonds9

About 2-[8-(2,6-diazaspiro[3.4]octan-6-yl)-5-piperazin-1-ylnonan-2-yl]-2,7-diazaspiro[3.4]octane

2-[8-(2,6-diazaspiro[3.4]octan-6-yl)-5-piperazin-1-ylnonan-2-yl]-2,7-diazaspiro[3.4]octane (PubChem CID 170423047) has the molecular formula C25H48N6 and a molecular weight of 432.70 g/mol. Its IUPAC name is 2-[8-(2,6-diazaspiro[3.4]octan-6-yl)-5-piperazin-1-ylnonan-2-yl]-2,7-diazaspiro[3.4]octane.

Molecular Properties

Compound Name2-[8-(2,6-diazaspiro[3.4]octan-6-yl)-5-piperazin-1-ylnonan-2-yl]-2,7-diazaspiro[3.4]octane
PubChem CID170423047
Molecular FormulaC25H48N6
Molecular Weight432.70 g/mol
Exact Mass432.39
IUPAC Name2-[8-(2,6-diazaspiro[3.4]octan-6-yl)-5-piperazin-1-ylnonan-2-yl]-2,7-diazaspiro[3.4]octane
SMILESCC(CCC(CCC(C)N1CC2(CCNC2)C1)N1CCNCC1)N1CCC2(CNC2)C1
InChIInChI=1S/C25H48N6/c1-21(30-12-8-24(18-30)15-28-16-24)3-5-23(29-13-10-26-11-14-29)6-4-22(2)31-19-25(20-31)7-9-27-17-25/h21-23,26-28H,3-20H2,1-2H3
InChIKeyYFOYQASTSMUVIV-UHFFFAOYSA-N
XLogP1.19
TPSA45.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.70
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[8-(2,6-diazaspiro[3.4]octan-6-yl)-5-piperazin-1-ylnonan-2-yl]-2,7-diazaspiro[3.4]octane?
The IUPAC name of 2-[8-(2,6-diazaspiro[3.4]octan-6-yl)-5-piperazin-1-ylnonan-2-yl]-2,7-diazaspiro[3.4]octane (CID 170423047) is 2-[8-(2,6-diazaspiro[3.4]octan-6-yl)-5-piperazin-1-ylnonan-2-yl]-2,7-diazaspiro[3.4]octane.
What is the SMILES notation for 2-[8-(2,6-diazaspiro[3.4]octan-6-yl)-5-piperazin-1-ylnonan-2-yl]-2,7-diazaspiro[3.4]octane?
The canonical SMILES for 2-[8-(2,6-diazaspiro[3.4]octan-6-yl)-5-piperazin-1-ylnonan-2-yl]-2,7-diazaspiro[3.4]octane is CC(CCC(CCC(C)N1CC2(CCNC2)C1)N1CCNCC1)N1CCC2(CNC2)C1.
What is the InChIKey of 2-[8-(2,6-diazaspiro[3.4]octan-6-yl)-5-piperazin-1-ylnonan-2-yl]-2,7-diazaspiro[3.4]octane?
The InChIKey is YFOYQASTSMUVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H48N6/c1-21(30-12-8-24(18-30)15-28-16-24)3-5-23(29-13-10-26-11-14-29)6-4-22(2)31-19-25(20-31)7-9-27-17-25/h21-23,26-28H,3-20H2,1-2H3.
What are the key properties of 2-[8-(2,6-diazaspiro[3.4]octan-6-yl)-5-piperazin-1-ylnonan-2-yl]-2,7-diazaspiro[3.4]octane?
2-[8-(2,6-diazaspiro[3.4]octan-6-yl)-5-piperazin-1-ylnonan-2-yl]-2,7-diazaspiro[3.4]octane has a molecular weight of 432.70 g/mol, XLogP of 1.19, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(2,6-diazaspiro[3.4]octan-6-yl)-5-piperazin-1-ylnonan-2-yl]-2,7-diazaspiro[3.4]octane is sourced from PubChem (CID 170423047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).