3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione

C23H31FN4O5S — CID 4843577

IUPAC3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CC(C)(C)CC2(C1)NC(=O)N(CC(=O)N1CCN(S(=O)(=O)c3cccc(F)c3)CC1)C2=O
InChIInChI=1S/C23H31FN4O5S/c1-16-12-22(2,3)15-23(13-16)20(30)28(21(31)25-23)14-19(29)26-7-9-27(10-8-26)34(32,33)18-6-4-5-17(24)11-18/h4-6,11,16H,7-10,12-15H2,1-3H3,(H,25,31)
InChIKeyMNFMCOARTINDBM-UHFFFAOYSA-N
MW494.59 g/mol
LogP1.80
Rot. Bonds4

About 3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione

3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 4843577) has the molecular formula C23H31FN4O5S and a molecular weight of 494.59 g/mol. Its IUPAC name is 3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID4843577
Molecular FormulaC23H31FN4O5S
Molecular Weight494.59 g/mol
Exact Mass494.20
IUPAC Name3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CC(C)(C)CC2(C1)NC(=O)N(CC(=O)N1CCN(S(=O)(=O)c3cccc(F)c3)CC1)C2=O
InChIInChI=1S/C23H31FN4O5S/c1-16-12-22(2,3)15-23(13-16)20(30)28(21(31)25-23)14-19(29)26-7-9-27(10-8-26)34(32,33)18-6-4-5-17(24)11-18/h4-6,11,16H,7-10,12-15H2,1-3H3,(H,25,31)
InChIKeyMNFMCOARTINDBM-UHFFFAOYSA-N
XLogP1.80
TPSA107.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.59
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 4843577) is 3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione is CC1CC(C)(C)CC2(C1)NC(=O)N(CC(=O)N1CCN(S(=O)(=O)c3cccc(F)c3)CC1)C2=O.
What is the InChIKey of 3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is MNFMCOARTINDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FN4O5S/c1-16-12-22(2,3)15-23(13-16)20(30)28(21(31)25-23)14-19(29)26-7-9-27(10-8-26)34(32,33)18-6-4-5-17(24)11-18/h4-6,11,16H,7-10,12-15H2,1-3H3,(H,25,31).
What are the key properties of 3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 494.59 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 4843577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).