2-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-azaspiro[4.4]nonane-1,3-dione

C20H24ClN3O3 — CID 17406638

IUPAC2-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C(CN1C(=O)CC2(CCCC2)C1=O)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C20H24ClN3O3/c21-15-5-1-2-6-16(15)22-9-11-23(12-10-22)18(26)14-24-17(25)13-20(19(24)27)7-3-4-8-20/h1-2,5-6H,3-4,7-14H2
InChIKeyYCKPPBSFBGTAFR-UHFFFAOYSA-N
MW389.88 g/mol
LogP2.31
Rot. Bonds3

About 2-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-azaspiro[4.4]nonane-1,3-dione

2-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-azaspiro[4.4]nonane-1,3-dione (PubChem CID 17406638) has the molecular formula C20H24ClN3O3 and a molecular weight of 389.88 g/mol. Its IUPAC name is 2-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-azaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name2-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-azaspiro[4.4]nonane-1,3-dione
PubChem CID17406638
Molecular FormulaC20H24ClN3O3
Molecular Weight389.88 g/mol
Exact Mass389.15
IUPAC Name2-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C(CN1C(=O)CC2(CCCC2)C1=O)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C20H24ClN3O3/c21-15-5-1-2-6-16(15)22-9-11-23(12-10-22)18(26)14-24-17(25)13-20(19(24)27)7-3-4-8-20/h1-2,5-6H,3-4,7-14H2
InChIKeyYCKPPBSFBGTAFR-UHFFFAOYSA-N
XLogP2.31
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 52.31
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

2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 17406006
3-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5,5-dipropylimidazolidine-2,4-dione
CID 9082251
(3aS,7aS)-2-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 8581240
4-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-1,4-benzoxazin-3-one
CID 5055436
3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 26937799
2-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 94385512
ethyl 4-(4-chlorophenyl)-1-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42761253
1-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one
CID 26014846
1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 18545117
2-(2-naphthalen-2-yl-2-oxoethyl)-2-azaspiro[4.4]nonane-1,3-dione
CID 17411430
2-(2-naphthalen-1-yl-2-oxoethyl)-2-azaspiro[4.4]nonane-1,3-dione
CID 17469781
4-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]butan-1-one
CID 28933889

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-azaspiro[4.4]nonane-1,3-dione?
The IUPAC name of 2-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-azaspiro[4.4]nonane-1,3-dione (CID 17406638) is 2-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-azaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for 2-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-azaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for 2-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-azaspiro[4.4]nonane-1,3-dione is O=C(CN1C(=O)CC2(CCCC2)C1=O)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 2-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-azaspiro[4.4]nonane-1,3-dione?
The InChIKey is YCKPPBSFBGTAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O3/c21-15-5-1-2-6-16(15)22-9-11-23(12-10-22)18(26)14-24-17(25)13-20(19(24)27)7-3-4-8-20/h1-2,5-6H,3-4,7-14H2.
What are the key properties of 2-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-azaspiro[4.4]nonane-1,3-dione?
2-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-azaspiro[4.4]nonane-1,3-dione has a molecular weight of 389.88 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-azaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 17406638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).