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

C22H30ClN3O2 — CID 12840736

IUPAC8-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESO=C1CC2(CCCC2)CC(=O)N1CCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C22H30ClN3O2/c23-18-5-3-6-19(15-18)25-13-11-24(12-14-25)9-4-10-26-20(27)16-22(17-21(26)28)7-1-2-8-22/h3,5-6,15H,1-2,4,7-14,16-17H2
InChIKeySSFJXVZYSFYALH-UHFFFAOYSA-N
MW403.95 g/mol
LogP3.56
Rot. Bonds5

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

8-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 12840736) has the molecular formula C22H30ClN3O2 and a molecular weight of 403.95 g/mol. Its IUPAC name is 8-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name8-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-8-azaspiro[4.5]decane-7,9-dione
PubChem CID12840736
Molecular FormulaC22H30ClN3O2
Molecular Weight403.95 g/mol
Exact Mass403.20
IUPAC Name8-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESO=C1CC2(CCCC2)CC(=O)N1CCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C22H30ClN3O2/c23-18-5-3-6-19(15-18)25-13-11-24(12-14-25)9-4-10-26-20(27)16-22(17-21(26)28)7-1-2-8-22/h3,5-6,15H,1-2,4,7-14,16-17H2
InChIKeySSFJXVZYSFYALH-UHFFFAOYSA-N
XLogP3.56
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.95
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 8-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-8-azaspiro[4.5]decane-7,9-dione (CID 12840736) is 8-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 8-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 8-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-8-azaspiro[4.5]decane-7,9-dione is O=C1CC2(CCCC2)CC(=O)N1CCCN1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 8-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is SSFJXVZYSFYALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30ClN3O2/c23-18-5-3-6-19(15-18)25-13-11-24(12-14-25)9-4-10-26-20(27)16-22(17-21(26)28)7-1-2-8-22/h3,5-6,15H,1-2,4,7-14,16-17H2.
What are the key properties of 8-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-8-azaspiro[4.5]decane-7,9-dione?
8-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 403.95 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 12840736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).