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

C17H29N3O2 — CID 12790496

IUPAC8-(4-piperazin-1-ylbutyl)-8-azaspiro[4.5]decane-7,9-dione
SMILESO=C1CC2(CCCC2)CC(=O)N1CCCCN1CCNCC1
InChIInChI=1S/C17H29N3O2/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
InChIKeyZOVNKFCHBFUAIS-UHFFFAOYSA-N
MW307.44 g/mol
LogP1.38
Rot. Bonds5

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

8-(4-piperazin-1-ylbutyl)-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 12790496) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 8-(4-piperazin-1-ylbutyl)-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name8-(4-piperazin-1-ylbutyl)-8-azaspiro[4.5]decane-7,9-dione
PubChem CID12790496
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name8-(4-piperazin-1-ylbutyl)-8-azaspiro[4.5]decane-7,9-dione
SMILESO=C1CC2(CCCC2)CC(=O)N1CCCCN1CCNCC1
InChIInChI=1S/C17H29N3O2/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
InChIKeyZOVNKFCHBFUAIS-UHFFFAOYSA-N
XLogP1.38
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.38
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?
The IUPAC name of 8-(4-piperazin-1-ylbutyl)-8-azaspiro[4.5]decane-7,9-dione (CID 12790496) is 8-(4-piperazin-1-ylbutyl)-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 8-(4-piperazin-1-ylbutyl)-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 8-(4-piperazin-1-ylbutyl)-8-azaspiro[4.5]decane-7,9-dione is O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCNCC1.
What is the InChIKey of 8-(4-piperazin-1-ylbutyl)-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is ZOVNKFCHBFUAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/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.
What are the key properties of 8-(4-piperazin-1-ylbutyl)-8-azaspiro[4.5]decane-7,9-dione?
8-(4-piperazin-1-ylbutyl)-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 307.44 g/mol, XLogP of 1.38, 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 is sourced from PubChem (CID 12790496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).