8-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione

C23H32ClN3O2 — CID 12840710

IUPAC8-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESO=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C23H32ClN3O2/c24-19-6-5-7-20(16-19)26-14-12-25(13-15-26)10-3-4-11-27-21(28)17-23(18-22(27)29)8-1-2-9-23/h5-7,16H,1-4,8-15,17-18H2
InChIKeyZBBKMZZNMFHCKK-UHFFFAOYSA-N
MW417.98 g/mol
LogP3.95
Rot. Bonds6

About 8-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione

8-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 12840710) has the molecular formula C23H32ClN3O2 and a molecular weight of 417.98 g/mol. Its IUPAC name is 8-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name8-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione
PubChem CID12840710
Molecular FormulaC23H32ClN3O2
Molecular Weight417.98 g/mol
Exact Mass417.22
IUPAC Name8-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESO=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C23H32ClN3O2/c24-19-6-5-7-20(16-19)26-14-12-25(13-15-26)10-3-4-11-27-21(28)17-23(18-22(27)29)8-1-2-9-23/h5-7,16H,1-4,8-15,17-18H2
InChIKeyZBBKMZZNMFHCKK-UHFFFAOYSA-N
XLogP3.95
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.98
LogP ≤ 53.95
H-Bond Donors ≤ 50
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-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 8-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione (CID 12840710) is 8-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 8-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 8-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione is O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 8-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is ZBBKMZZNMFHCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32ClN3O2/c24-19-6-5-7-20(16-19)26-14-12-25(13-15-26)10-3-4-11-27-21(28)17-23(18-22(27)29)8-1-2-9-23/h5-7,16H,1-4,8-15,17-18H2.
What are the key properties of 8-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione?
8-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 417.98 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 12840710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).