3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4,8-trione

C20H23ClN4O4 — CID 75392176

IUPAC3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4,8-trione
SMILESO=C1CCC2(CC1)NC(=O)N(CC(=O)N1CCN(c3cccc(Cl)c3)CC1)C2=O
InChIInChI=1S/C20H23ClN4O4/c21-14-2-1-3-15(12-14)23-8-10-24(11-9-23)17(27)13-25-18(28)20(22-19(25)29)6-4-16(26)5-7-20/h1-3,12H,4-11,13H2,(H,22,29)
InChIKeyJHEDHXSKYOYAMN-UHFFFAOYSA-N
MW418.88 g/mol
LogP1.42
Rot. Bonds3

About 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4,8-trione

3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4,8-trione (PubChem CID 75392176) has the molecular formula C20H23ClN4O4 and a molecular weight of 418.88 g/mol. Its IUPAC name is 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4,8-trione.

Molecular Properties

Compound Name3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4,8-trione
PubChem CID75392176
Molecular FormulaC20H23ClN4O4
Molecular Weight418.88 g/mol
Exact Mass418.14
IUPAC Name3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4,8-trione
SMILESO=C1CCC2(CC1)NC(=O)N(CC(=O)N1CCN(c3cccc(Cl)c3)CC1)C2=O
InChIInChI=1S/C20H23ClN4O4/c21-14-2-1-3-15(12-14)23-8-10-24(11-9-23)17(27)13-25-18(28)20(22-19(25)29)6-4-16(26)5-7-20/h1-3,12H,4-11,13H2,(H,22,29)
InChIKeyJHEDHXSKYOYAMN-UHFFFAOYSA-N
XLogP1.42
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.88
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 43001987
(5S,6R)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9146026
3-[2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 22108936
3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 46484743
[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 55400582
1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-3-phenylpyrrolidine-2,5-dione
CID 122190142
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 109003218
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941987
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylsulfanylethanone
CID 134059598
6-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 113201858
3-[2-(3-chlorophenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 17413736
3-[2-(3-chlorophenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 17457674

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4,8-trione?
The IUPAC name of 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4,8-trione (CID 75392176) is 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4,8-trione.
What is the SMILES notation for 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4,8-trione?
The canonical SMILES for 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4,8-trione is O=C1CCC2(CC1)NC(=O)N(CC(=O)N1CCN(c3cccc(Cl)c3)CC1)C2=O.
What is the InChIKey of 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4,8-trione?
The InChIKey is JHEDHXSKYOYAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O4/c21-14-2-1-3-15(12-14)23-8-10-24(11-9-23)17(27)13-25-18(28)20(22-19(25)29)6-4-16(26)5-7-20/h1-3,12H,4-11,13H2,(H,22,29).
What are the key properties of 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4,8-trione?
3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4,8-trione has a molecular weight of 418.88 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4,8-trione is sourced from PubChem (CID 75392176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).