8-[2-[4-(2-chlorophenyl)piperidin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione

C22H29ClN2O2 — CID 11200086

IUPAC8-[2-[4-(2-chlorophenyl)piperidin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESO=C1CC2(CCCC2)CC(=O)N1CCN1CCC(c2ccccc2Cl)CC1
InChIInChI=1S/C22H29ClN2O2/c23-19-6-2-1-5-18(19)17-7-11-24(12-8-17)13-14-25-20(26)15-22(16-21(25)27)9-3-4-10-22/h1-2,5-6,17H,3-4,7-16H2
InChIKeyQGNJCJCADQNVJR-UHFFFAOYSA-N
MW388.94 g/mol
LogP4.23
Rot. Bonds4

About 8-[2-[4-(2-chlorophenyl)piperidin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione

8-[2-[4-(2-chlorophenyl)piperidin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 11200086) has the molecular formula C22H29ClN2O2 and a molecular weight of 388.94 g/mol. Its IUPAC name is 8-[2-[4-(2-chlorophenyl)piperidin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name8-[2-[4-(2-chlorophenyl)piperidin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione
PubChem CID11200086
Molecular FormulaC22H29ClN2O2
Molecular Weight388.94 g/mol
Exact Mass388.19
IUPAC Name8-[2-[4-(2-chlorophenyl)piperidin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESO=C1CC2(CCCC2)CC(=O)N1CCN1CCC(c2ccccc2Cl)CC1
InChIInChI=1S/C22H29ClN2O2/c23-19-6-2-1-5-18(19)17-7-11-24(12-8-17)13-14-25-20(26)15-22(16-21(25)27)9-3-4-10-22/h1-2,5-6,17H,3-4,7-16H2
InChIKeyQGNJCJCADQNVJR-UHFFFAOYSA-N
XLogP4.23
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.94
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4R,5R)-5-amino-4-(2-chlorophenyl)-1-(cyclohexylmethyl)piperidin-2-one
CID 16204462
8-{2-[4-(2,5-Dichloro-phenyl)-piperidin-1-yl]-ethyl}-8-aza-spiro[4.5]decane-7,9-dione
CID 9845172
8-[2-(4-Phenylpiperidin-1-YL)ethyl]-8-azaspiro[4.5]decane-7,9-dione
CID 11348796
3-[1-[(2-Chlorophenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-2,6-dione
CID 14479868
8-[4-(6-Chloro-1,2,4,5-tetrahydro-3-benzazepin-3-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione
CID 44372630
Piperazine, 1-(4-(3-chloro-4-(1-methylethyl)phenyl)-1-oxobutyl)-4-methyl-, monohydrochloride
CID 208674
4-(4-tert-Butyl-3-chlorophenyl)-1-(4-methylpiperazin-1-yl)butan-1-one--hydrogen chloride (1/1)
CID 208681
Piperazine, 1-(4-(3-chloro-4-cyclohexylphenyl)-1-oxobutyl)-4-methyl-, monohydrochloride
CID 208686
3,5-Bis(2-chlorophenyl)-1-methylpiperidine-2,6-dione
CID 57395799
9-(2-Chlorophenyl)-1-piperidin-1-ylnonan-1-one
CID 171355852
1-[4-(2-Chlorobenzyl)piperazin-1-yl]-3-cyclopentylpropan-1-one
CID 764876
[1-(4-Chlorophenyl)cyclopentyl]-piperidin-1-ylmethanone
CID 977552

Frequently Asked Questions

What is the IUPAC name of 8-[2-[4-(2-chlorophenyl)piperidin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 8-[2-[4-(2-chlorophenyl)piperidin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione (CID 11200086) is 8-[2-[4-(2-chlorophenyl)piperidin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 8-[2-[4-(2-chlorophenyl)piperidin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 8-[2-[4-(2-chlorophenyl)piperidin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione is O=C1CC2(CCCC2)CC(=O)N1CCN1CCC(c2ccccc2Cl)CC1.
What is the InChIKey of 8-[2-[4-(2-chlorophenyl)piperidin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is QGNJCJCADQNVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN2O2/c23-19-6-2-1-5-18(19)17-7-11-24(12-8-17)13-14-25-20(26)15-22(16-21(25)27)9-3-4-10-22/h1-2,5-6,17H,3-4,7-16H2.
What are the key properties of 8-[2-[4-(2-chlorophenyl)piperidin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione?
8-[2-[4-(2-chlorophenyl)piperidin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 388.94 g/mol, XLogP of 4.23, 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)piperidin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 11200086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).