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

C21H30ClN3O — CID 11234230

IUPAC8-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decan-9-one
SMILESO=C1CC2(CCCC2)CCN1CCN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C21H30ClN3O/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/h1-2,5-6H,3-4,7-17H2
InChIKeyBYHQOSOPNSLUAD-UHFFFAOYSA-N
MW375.94 g/mol
LogP3.64
Rot. Bonds4

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

8-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decan-9-one (PubChem CID 11234230) has the molecular formula C21H30ClN3O and a molecular weight of 375.94 g/mol. Its IUPAC name is 8-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decan-9-one.

Molecular Properties

Compound Name8-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decan-9-one
PubChem CID11234230
Molecular FormulaC21H30ClN3O
Molecular Weight375.94 g/mol
Exact Mass375.21
IUPAC Name8-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decan-9-one
SMILESO=C1CC2(CCCC2)CCN1CCN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C21H30ClN3O/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/h1-2,5-6H,3-4,7-17H2
InChIKeyBYHQOSOPNSLUAD-UHFFFAOYSA-N
XLogP3.64
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.94
LogP ≤ 53.64
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]decan-9-one?
The IUPAC name of 8-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decan-9-one (CID 11234230) is 8-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decan-9-one.
What is the SMILES notation for 8-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decan-9-one?
The canonical SMILES for 8-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decan-9-one is O=C1CC2(CCCC2)CCN1CCN1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 8-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decan-9-one?
The InChIKey is BYHQOSOPNSLUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30ClN3O/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/h1-2,5-6H,3-4,7-17H2.
What are the key properties of 8-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decan-9-one?
8-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decan-9-one has a molecular weight of 375.94 g/mol, XLogP of 3.64, 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]decan-9-one is sourced from PubChem (CID 11234230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).