8-methyl-3-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C23H32N4O2 — CID 4968947

IUPAC8-methyl-3-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCC2(CC1)NC(=O)N(CN1CCN(CC=Cc3ccccc3)CC1)C2=O
InChIInChI=1S/C23H32N4O2/c1-19-9-11-23(12-10-19)21(28)27(22(29)24-23)18-26-16-14-25(15-17-26)13-5-8-20-6-3-2-4-7-20/h2-8,19H,9-18H2,1H3,(H,24,29)
InChIKeyQRLHVHVNLYPVEU-UHFFFAOYSA-N
MW396.54 g/mol
LogP2.78
Rot. Bonds5

About 8-methyl-3-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

8-methyl-3-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 4968947) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 8-methyl-3-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-methyl-3-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID4968947
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name8-methyl-3-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCC2(CC1)NC(=O)N(CN1CCN(CC=Cc3ccccc3)CC1)C2=O
InChIInChI=1S/C23H32N4O2/c1-19-9-11-23(12-10-19)21(28)27(22(29)24-23)18-26-16-14-25(15-17-26)13-5-8-20-6-3-2-4-7-20/h2-8,19H,9-18H2,1H3,(H,24,29)
InChIKeyQRLHVHVNLYPVEU-UHFFFAOYSA-N
XLogP2.78
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-ethyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 30721988
8-tert-butyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 22110194
8-methyl-3-[[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 55626803
5-cyclopropyl-5-methyl-3-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione
CID 78790835
1-(4-methylpiperidin-1-yl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propane-1,3-dione
CID 108942741
1-[(1S,3S)-3-methylcyclopentyl]-4-(3-phenylprop-2-enyl)piperazine
CID 7074526
2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetaldehyde
CID 62025356
1-phenyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione
CID 55919363
3-ethyl-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 60642768
(5S)-5-cyclohexyl-5-methyl-3-[(E)-3-phenylprop-2-enyl]imidazolidine-2,4-dione
CID 7618939
3-[(4-benzoylpiperazin-1-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 4792556
3-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 55484424

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-methyl-3-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 4968947) is 8-methyl-3-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-methyl-3-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-methyl-3-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is CC1CCC2(CC1)NC(=O)N(CN1CCN(CC=Cc3ccccc3)CC1)C2=O.
What is the InChIKey of 8-methyl-3-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is QRLHVHVNLYPVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-19-9-11-23(12-10-19)21(28)27(22(29)24-23)18-26-16-14-25(15-17-26)13-5-8-20-6-3-2-4-7-20/h2-8,19H,9-18H2,1H3,(H,24,29).
What are the key properties of 8-methyl-3-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
8-methyl-3-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 396.54 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 4968947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).