8-[1-[4-(2,5-dichlorophenyl)piperazin-1-yl]propan-2-yl]-8-azaspiro[4.5]decane-7,9-dione

C22H29Cl2N3O2 — CID 11464777

IUPAC8-[1-[4-(2,5-dichlorophenyl)piperazin-1-yl]propan-2-yl]-8-azaspiro[4.5]decane-7,9-dione
SMILESCC(CN1CCN(c2cc(Cl)ccc2Cl)CC1)N1C(=O)CC2(CCCC2)CC1=O
InChIInChI=1S/C22H29Cl2N3O2/c1-16(27-20(28)13-22(14-21(27)29)6-2-3-7-22)15-25-8-10-26(11-9-25)19-12-17(23)4-5-18(19)24/h4-5,12,16H,2-3,6-11,13-15H2,1H3
InChIKeyRPADCEVSPXUEKK-UHFFFAOYSA-N
MW438.40 g/mol
LogP4.21
Rot. Bonds4

About 8-[1-[4-(2,5-dichlorophenyl)piperazin-1-yl]propan-2-yl]-8-azaspiro[4.5]decane-7,9-dione

8-[1-[4-(2,5-dichlorophenyl)piperazin-1-yl]propan-2-yl]-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 11464777) has the molecular formula C22H29Cl2N3O2 and a molecular weight of 438.40 g/mol. Its IUPAC name is 8-[1-[4-(2,5-dichlorophenyl)piperazin-1-yl]propan-2-yl]-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name8-[1-[4-(2,5-dichlorophenyl)piperazin-1-yl]propan-2-yl]-8-azaspiro[4.5]decane-7,9-dione
PubChem CID11464777
Molecular FormulaC22H29Cl2N3O2
Molecular Weight438.40 g/mol
Exact Mass437.16
IUPAC Name8-[1-[4-(2,5-dichlorophenyl)piperazin-1-yl]propan-2-yl]-8-azaspiro[4.5]decane-7,9-dione
SMILESCC(CN1CCN(c2cc(Cl)ccc2Cl)CC1)N1C(=O)CC2(CCCC2)CC1=O
InChIInChI=1S/C22H29Cl2N3O2/c1-16(27-20(28)13-22(14-21(27)29)6-2-3-7-22)15-25-8-10-26(11-9-25)19-12-17(23)4-5-18(19)24/h4-5,12,16H,2-3,6-11,13-15H2,1H3
InChIKeyRPADCEVSPXUEKK-UHFFFAOYSA-N
XLogP4.21
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.40
LogP ≤ 54.21
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-[1-[4-(2,5-dichlorophenyl)piperazin-1-yl]propan-2-yl]-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 8-[1-[4-(2,5-dichlorophenyl)piperazin-1-yl]propan-2-yl]-8-azaspiro[4.5]decane-7,9-dione (CID 11464777) is 8-[1-[4-(2,5-dichlorophenyl)piperazin-1-yl]propan-2-yl]-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 8-[1-[4-(2,5-dichlorophenyl)piperazin-1-yl]propan-2-yl]-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 8-[1-[4-(2,5-dichlorophenyl)piperazin-1-yl]propan-2-yl]-8-azaspiro[4.5]decane-7,9-dione is CC(CN1CCN(c2cc(Cl)ccc2Cl)CC1)N1C(=O)CC2(CCCC2)CC1=O.
What is the InChIKey of 8-[1-[4-(2,5-dichlorophenyl)piperazin-1-yl]propan-2-yl]-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is RPADCEVSPXUEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29Cl2N3O2/c1-16(27-20(28)13-22(14-21(27)29)6-2-3-7-22)15-25-8-10-26(11-9-25)19-12-17(23)4-5-18(19)24/h4-5,12,16H,2-3,6-11,13-15H2,1H3.
What are the key properties of 8-[1-[4-(2,5-dichlorophenyl)piperazin-1-yl]propan-2-yl]-8-azaspiro[4.5]decane-7,9-dione?
8-[1-[4-(2,5-dichlorophenyl)piperazin-1-yl]propan-2-yl]-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 438.40 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-[4-(2,5-dichlorophenyl)piperazin-1-yl]propan-2-yl]-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 11464777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).