8-(4-piperazin-1-ylbutyl)-8-azaspiro[4.5]decane-7,9-dione;dihydrochloride

C17H31Cl2N3O2 — CID 12790497

IUPAC8-(4-piperazin-1-ylbutyl)-8-azaspiro[4.5]decane-7,9-dione;dihydrochloride
SMILESCl.Cl.O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCNCC1
InChIInChI=1S/C17H29N3O2.2ClH/c21-15-13-17(5-1-2-6-17)14-16(22)20(15)10-4-3-9-19-11-7-18-8-12-19;;/h18H,1-14H2;2*1H
InChIKeyNLSREDCEOBEAIK-UHFFFAOYSA-N
MW380.36 g/mol
LogP2.22
Rot. Bonds5

About 8-(4-piperazin-1-ylbutyl)-8-azaspiro[4.5]decane-7,9-dione;dihydrochloride

8-(4-piperazin-1-ylbutyl)-8-azaspiro[4.5]decane-7,9-dione;dihydrochloride (PubChem CID 12790497) has the molecular formula C17H31Cl2N3O2 and a molecular weight of 380.36 g/mol. Its IUPAC name is 8-(4-piperazin-1-ylbutyl)-8-azaspiro[4.5]decane-7,9-dione;dihydrochloride.

Molecular Properties

Compound Name8-(4-piperazin-1-ylbutyl)-8-azaspiro[4.5]decane-7,9-dione;dihydrochloride
PubChem CID12790497
Molecular FormulaC17H31Cl2N3O2
Molecular Weight380.36 g/mol
Exact Mass379.18
IUPAC Name8-(4-piperazin-1-ylbutyl)-8-azaspiro[4.5]decane-7,9-dione;dihydrochloride
SMILESCl.Cl.O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCNCC1
InChIInChI=1S/C17H29N3O2.2ClH/c21-15-13-17(5-1-2-6-17)14-16(22)20(15)10-4-3-9-19-11-7-18-8-12-19;;/h18H,1-14H2;2*1H
InChIKeyNLSREDCEOBEAIK-UHFFFAOYSA-N
XLogP2.22
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(4-piperazin-1-ylbutyl)-8-azaspiro[4.5]decane-7,9-dione;dihydrochloride?
The IUPAC name of 8-(4-piperazin-1-ylbutyl)-8-azaspiro[4.5]decane-7,9-dione;dihydrochloride (CID 12790497) is 8-(4-piperazin-1-ylbutyl)-8-azaspiro[4.5]decane-7,9-dione;dihydrochloride.
What is the SMILES notation for 8-(4-piperazin-1-ylbutyl)-8-azaspiro[4.5]decane-7,9-dione;dihydrochloride?
The canonical SMILES for 8-(4-piperazin-1-ylbutyl)-8-azaspiro[4.5]decane-7,9-dione;dihydrochloride is Cl.Cl.O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCNCC1.
What is the InChIKey of 8-(4-piperazin-1-ylbutyl)-8-azaspiro[4.5]decane-7,9-dione;dihydrochloride?
The InChIKey is NLSREDCEOBEAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2.2ClH/c21-15-13-17(5-1-2-6-17)14-16(22)20(15)10-4-3-9-19-11-7-18-8-12-19;;/h18H,1-14H2;2*1H.
What are the key properties of 8-(4-piperazin-1-ylbutyl)-8-azaspiro[4.5]decane-7,9-dione;dihydrochloride?
8-(4-piperazin-1-ylbutyl)-8-azaspiro[4.5]decane-7,9-dione;dihydrochloride has a molecular weight of 380.36 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-piperazin-1-ylbutyl)-8-azaspiro[4.5]decane-7,9-dione;dihydrochloride is sourced from PubChem (CID 12790497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).