8-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]dec-9-en-7-one

C21H28ClN3O — CID 11372228

IUPAC8-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]dec-9-en-7-one
SMILESO=C1CC2(C=CN1CCN1CCN(c3ccccc3Cl)CC1)CCCC2
InChIInChI=1S/C21H28ClN3O/c22-18-5-1-2-6-19(18)24-14-11-23(12-15-24)13-16-25-10-9-21(17-20(25)26)7-3-4-8-21/h1-2,5-6,9-10H,3-4,7-8,11-17H2
InChIKeyXOSAFCKSDPJGTM-UHFFFAOYSA-N
MW373.93 g/mol
LogP3.77
Rot. Bonds4

About 8-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]dec-9-en-7-one

8-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]dec-9-en-7-one (PubChem CID 11372228) has the molecular formula C21H28ClN3O and a molecular weight of 373.93 g/mol. Its IUPAC name is 8-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]dec-9-en-7-one.

Molecular Properties

Compound Name8-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]dec-9-en-7-one
PubChem CID11372228
Molecular FormulaC21H28ClN3O
Molecular Weight373.93 g/mol
Exact Mass373.19
IUPAC Name8-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]dec-9-en-7-one
SMILESO=C1CC2(C=CN1CCN1CCN(c3ccccc3Cl)CC1)CCCC2
InChIInChI=1S/C21H28ClN3O/c22-18-5-1-2-6-19(18)24-14-11-23(12-15-24)13-16-25-10-9-21(17-20(25)26)7-3-4-8-21/h1-2,5-6,9-10H,3-4,7-8,11-17H2
InChIKeyXOSAFCKSDPJGTM-UHFFFAOYSA-N
XLogP3.77
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.93
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]dec-9-en-7-one?
The IUPAC name of 8-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]dec-9-en-7-one (CID 11372228) is 8-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]dec-9-en-7-one.
What is the SMILES notation for 8-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]dec-9-en-7-one?
The canonical SMILES for 8-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]dec-9-en-7-one is O=C1CC2(C=CN1CCN1CCN(c3ccccc3Cl)CC1)CCCC2.
What is the InChIKey of 8-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]dec-9-en-7-one?
The InChIKey is XOSAFCKSDPJGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClN3O/c22-18-5-1-2-6-19(18)24-14-11-23(12-15-24)13-16-25-10-9-21(17-20(25)26)7-3-4-8-21/h1-2,5-6,9-10H,3-4,7-8,11-17H2.
What are the key properties of 8-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]dec-9-en-7-one?
8-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]dec-9-en-7-one has a molecular weight of 373.93 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]dec-9-en-7-one is sourced from PubChem (CID 11372228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).