2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-azaspiro[4.5]decane-1,3-dione

C21H28ClN3O2 — CID 44582335

IUPAC2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-azaspiro[4.5]decane-1,3-dione
SMILESO=C1CC2(CCCCC2)C(=O)N1CCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C21H28ClN3O2/c22-17-5-4-6-18(15-17)24-12-9-23(10-13-24)11-14-25-19(26)16-21(20(25)27)7-2-1-3-8-21/h4-6,15H,1-3,7-14,16H2
InChIKeyJUIIBSXRNFUWDF-UHFFFAOYSA-N
MW389.93 g/mol
LogP3.17
Rot. Bonds4

About 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-azaspiro[4.5]decane-1,3-dione

2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-azaspiro[4.5]decane-1,3-dione (PubChem CID 44582335) has the molecular formula C21H28ClN3O2 and a molecular weight of 389.93 g/mol. Its IUPAC name is 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-azaspiro[4.5]decane-1,3-dione.

Molecular Properties

Compound Name2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-azaspiro[4.5]decane-1,3-dione
PubChem CID44582335
Molecular FormulaC21H28ClN3O2
Molecular Weight389.93 g/mol
Exact Mass389.19
IUPAC Name2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-azaspiro[4.5]decane-1,3-dione
SMILESO=C1CC2(CCCCC2)C(=O)N1CCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C21H28ClN3O2/c22-17-5-4-6-18(15-17)24-12-9-23(10-13-24)11-14-25-19(26)16-21(20(25)27)7-2-1-3-8-21/h4-6,15H,1-3,7-14,16H2
InChIKeyJUIIBSXRNFUWDF-UHFFFAOYSA-N
XLogP3.17
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.93
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-{2-[4-(2,5-Dichloro-phenyl)-piperazin-1-yl]-ethyl}-8-aza-spiro[4.5]decan-7-one
CID 9822814
8-{2-[4-(2-Chloro-5-fluoro-phenyl)-piperazin-1-yl]-ethyl}-8-aza-spiro[4.5]decane-7,9-dione
CID 9844321
8-{2-[4-(5-Chloro-2-methylphenyl)piperazino]ethyl}-8-azaspiro[4.5]decane-7,9-dione
CID 9887458
8-{2-[4-(2,5-Dichloro-phenyl)-piperazin-1-yl]-ethyl}-8-aza-spiro[4.5]decane-7,9-dione
CID 9954092
8-{2-[4-(2,5-Dichloro-phenyl)-piperazin-1-yl]-1-methyl-ethyl}-8-aza-spiro[4.5]decane-7,9-dione
CID 11464777
3-{4-[4-(3-Chlorophenyl)-piperazin-1-yl]-butyl}-1,3-dihydro-2H-indol-2-one
CID 11653869
1-(4-(4-(4-Chlorophenyl)-1-piperazinyl)butyl)indolin-2-one
CID 23653176
3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3-ethyl-1H-indol-2-one
CID 24854273
N-[2-[4-(3-Chlorophenyl)-1-piperazinyl]ethyl]tricyclo[3,3,1,13,7]decane-1-carboxamide Dihydrochloride
CID 45262376
8-{2-[4-(2-Chloro-phenyl)-piperazin-1-yl]-ethyl}-8-aza-spiro[4.5]decan-7-one
CID 11234230
8-{4-[4-(2,5-Dichloro-phenyl)-piperazin-1-yl]-butyl}-8-aza-spiro[4.5]decane-7,9-dione
CID 11270912
8-{2-[4-(2-Chloro-phenyl)-piperazin-1-yl]-ethyl}-8-aza-spiro[4.5]dec-9-en-7-one
CID 11372228

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-azaspiro[4.5]decane-1,3-dione?
The IUPAC name of 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-azaspiro[4.5]decane-1,3-dione (CID 44582335) is 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-azaspiro[4.5]decane-1,3-dione.
What is the SMILES notation for 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-azaspiro[4.5]decane-1,3-dione?
The canonical SMILES for 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-azaspiro[4.5]decane-1,3-dione is O=C1CC2(CCCCC2)C(=O)N1CCN1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-azaspiro[4.5]decane-1,3-dione?
The InChIKey is JUIIBSXRNFUWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClN3O2/c22-17-5-4-6-18(15-17)24-12-9-23(10-13-24)11-14-25-19(26)16-21(20(25)27)7-2-1-3-8-21/h4-6,15H,1-3,7-14,16H2.
What are the key properties of 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-azaspiro[4.5]decane-1,3-dione?
2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-azaspiro[4.5]decane-1,3-dione has a molecular weight of 389.93 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-azaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 44582335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).