1,5-bis(2-oxo-2-piperazin-1-ylethyl)-1,5-diazocane-2,6-dione;dihydrochloride

C18H32Cl2N6O4 — CID 18752839

IUPAC1,5-bis(2-oxo-2-piperazin-1-ylethyl)-1,5-diazocane-2,6-dione;dihydrochloride
SMILESCl.Cl.O=C(CN1CCC(=O)N(CC(=O)N2CCNCC2)CCC1=O)N1CCNCC1
InChIInChI=1S/C18H30N6O4.2ClH/c25-15-1-7-23(13-17(27)21-9-3-19-4-10-21)16(26)2-8-24(15)14-18(28)22-11-5-20-6-12-22;;/h19-20H,1-14H2;2*1H
InChIKeyFWFNSUDGOHRKRE-UHFFFAOYSA-N
MW467.40 g/mol
LogP-1.86
Rot. Bonds4

About 1,5-bis(2-oxo-2-piperazin-1-ylethyl)-1,5-diazocane-2,6-dione;dihydrochloride

1,5-bis(2-oxo-2-piperazin-1-ylethyl)-1,5-diazocane-2,6-dione;dihydrochloride (PubChem CID 18752839) has the molecular formula C18H32Cl2N6O4 and a molecular weight of 467.40 g/mol. Its IUPAC name is 1,5-bis(2-oxo-2-piperazin-1-ylethyl)-1,5-diazocane-2,6-dione;dihydrochloride.

Molecular Properties

Compound Name1,5-bis(2-oxo-2-piperazin-1-ylethyl)-1,5-diazocane-2,6-dione;dihydrochloride
PubChem CID18752839
Molecular FormulaC18H32Cl2N6O4
Molecular Weight467.40 g/mol
Exact Mass466.19
IUPAC Name1,5-bis(2-oxo-2-piperazin-1-ylethyl)-1,5-diazocane-2,6-dione;dihydrochloride
SMILESCl.Cl.O=C(CN1CCC(=O)N(CC(=O)N2CCNCC2)CCC1=O)N1CCNCC1
InChIInChI=1S/C18H30N6O4.2ClH/c25-15-1-7-23(13-17(27)21-9-3-19-4-10-21)16(26)2-8-24(15)14-18(28)22-11-5-20-6-12-22;;/h19-20H,1-14H2;2*1H
InChIKeyFWFNSUDGOHRKRE-UHFFFAOYSA-N
XLogP-1.86
TPSA105.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.40
LogP ≤ 5-1.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,5-bis(2-oxo-2-piperazin-1-ylethyl)-1,5-diazocane-2,6-dione;dihydrochloride?
The IUPAC name of 1,5-bis(2-oxo-2-piperazin-1-ylethyl)-1,5-diazocane-2,6-dione;dihydrochloride (CID 18752839) is 1,5-bis(2-oxo-2-piperazin-1-ylethyl)-1,5-diazocane-2,6-dione;dihydrochloride.
What is the SMILES notation for 1,5-bis(2-oxo-2-piperazin-1-ylethyl)-1,5-diazocane-2,6-dione;dihydrochloride?
The canonical SMILES for 1,5-bis(2-oxo-2-piperazin-1-ylethyl)-1,5-diazocane-2,6-dione;dihydrochloride is Cl.Cl.O=C(CN1CCC(=O)N(CC(=O)N2CCNCC2)CCC1=O)N1CCNCC1.
What is the InChIKey of 1,5-bis(2-oxo-2-piperazin-1-ylethyl)-1,5-diazocane-2,6-dione;dihydrochloride?
The InChIKey is FWFNSUDGOHRKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O4.2ClH/c25-15-1-7-23(13-17(27)21-9-3-19-4-10-21)16(26)2-8-24(15)14-18(28)22-11-5-20-6-12-22;;/h19-20H,1-14H2;2*1H.
What are the key properties of 1,5-bis(2-oxo-2-piperazin-1-ylethyl)-1,5-diazocane-2,6-dione;dihydrochloride?
1,5-bis(2-oxo-2-piperazin-1-ylethyl)-1,5-diazocane-2,6-dione;dihydrochloride has a molecular weight of 467.40 g/mol, XLogP of -1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(2-oxo-2-piperazin-1-ylethyl)-1,5-diazocane-2,6-dione;dihydrochloride is sourced from PubChem (CID 18752839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).