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

C24H34N4O2 — CID 30721988

IUPAC8-ethyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCCC1CCC2(CC1)NC(=O)N(CN1CCN(C/C=C/c3ccccc3)CC1)C2=O
InChIInChI=1S/C24H34N4O2/c1-2-20-10-12-24(13-11-20)22(29)28(23(30)25-24)19-27-17-15-26(16-18-27)14-6-9-21-7-4-3-5-8-21/h3-9,20H,2,10-19H2,1H3,(H,25,30)/b9-6+
InChIKeyQQTYPVXOOXSOCN-RMKNXTFCSA-N
MW410.56 g/mol
LogP3.17
Rot. Bonds6

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

8-ethyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 30721988) has the molecular formula C24H34N4O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is 8-ethyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-ethyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID30721988
Molecular FormulaC24H34N4O2
Molecular Weight410.56 g/mol
Exact Mass410.27
IUPAC Name8-ethyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCCC1CCC2(CC1)NC(=O)N(CN1CCN(C/C=C/c3ccccc3)CC1)C2=O
InChIInChI=1S/C24H34N4O2/c1-2-20-10-12-24(13-11-20)22(29)28(23(30)25-24)19-27-17-15-26(16-18-27)14-6-9-21-7-4-3-5-8-21/h3-9,20H,2,10-19H2,1H3,(H,25,30)/b9-6+
InChIKeyQQTYPVXOOXSOCN-RMKNXTFCSA-N
XLogP3.17
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 53.17
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-methyl-3-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 4968947
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
3-benzyl-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 103599854
5-cyclopropyl-5-methyl-3-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione
CID 78790835
8-ethyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 24605748
3-(3,3-dimethyl-2-oxobutyl)-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7180920
1-phenyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione
CID 55919363
3-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 55484424
8-ethyl-3-[2-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 55677594
3-[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 120748655
8-methyl-3-[[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 55626803
(5S)-5-cyclohexyl-5-methyl-3-[(E)-3-phenylprop-2-enyl]imidazolidine-2,4-dione
CID 7618939

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-ethyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 30721988) is 8-ethyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-ethyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-ethyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is CCC1CCC2(CC1)NC(=O)N(CN1CCN(C/C=C/c3ccccc3)CC1)C2=O.
What is the InChIKey of 8-ethyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is QQTYPVXOOXSOCN-RMKNXTFCSA-N. The full InChI is InChI=1S/C24H34N4O2/c1-2-20-10-12-24(13-11-20)22(29)28(23(30)25-24)19-27-17-15-26(16-18-27)14-6-9-21-7-4-3-5-8-21/h3-9,20H,2,10-19H2,1H3,(H,25,30)/b9-6+.
What are the key properties of 8-ethyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
8-ethyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 410.56 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 30721988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).