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

C26H38N4O2 — CID 22110194

IUPAC8-tert-butyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC(C)(C)C1CCC2(CC1)NC(=O)N(CN1CCN(C/C=C/c3ccccc3)CC1)C2=O
InChIInChI=1S/C26H38N4O2/c1-25(2,3)22-11-13-26(14-12-22)23(31)30(24(32)27-26)20-29-18-16-28(17-19-29)15-7-10-21-8-5-4-6-9-21/h4-10,22H,11-20H2,1-3H3,(H,27,32)/b10-7+
InChIKeyCCSQSIHBHPKLLX-JXMROGBWSA-N
MW438.62 g/mol
LogP3.80
Rot. Bonds5

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

8-tert-butyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 22110194) has the molecular formula C26H38N4O2 and a molecular weight of 438.62 g/mol. Its IUPAC name is 8-tert-butyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-tert-butyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID22110194
Molecular FormulaC26H38N4O2
Molecular Weight438.62 g/mol
Exact Mass438.30
IUPAC Name8-tert-butyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC(C)(C)C1CCC2(CC1)NC(=O)N(CN1CCN(C/C=C/c3ccccc3)CC1)C2=O
InChIInChI=1S/C26H38N4O2/c1-25(2,3)22-11-13-26(14-12-22)23(31)30(24(32)27-26)20-29-18-16-28(17-19-29)15-7-10-21-8-5-4-6-9-21/h4-10,22H,11-20H2,1-3H3,(H,27,32)/b10-7+
InChIKeyCCSQSIHBHPKLLX-JXMROGBWSA-N
XLogP3.80
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.62
LogP ≤ 53.80
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-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-methylsulfonylpiperazin-1-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18125988
8-tert-butyl-3-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 30958872
tert-butyl 4-[(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]piperazine-1-carboxylate
CID 35920548
(3R)-1-[(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-N-phenylpiperidine-3-carboxamide
CID 26012258
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-phenyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione
CID 55919363
8-tert-butyl-3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 55429540
3-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 55484424
N-benzyl-1-[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-4-carboxamide
CID 33100935
8-methyl-3-[[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 55626803

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-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-tert-butyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 22110194) is 8-tert-butyl-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-tert-butyl-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-tert-butyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is CC(C)(C)C1CCC2(CC1)NC(=O)N(CN1CCN(C/C=C/c3ccccc3)CC1)C2=O.
What is the InChIKey of 8-tert-butyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is CCSQSIHBHPKLLX-JXMROGBWSA-N. The full InChI is InChI=1S/C26H38N4O2/c1-25(2,3)22-11-13-26(14-12-22)23(31)30(24(32)27-26)20-29-18-16-28(17-19-29)15-7-10-21-8-5-4-6-9-21/h4-10,22H,11-20H2,1-3H3,(H,27,32)/b10-7+.
What are the key properties of 8-tert-butyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
8-tert-butyl-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 438.62 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-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 22110194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).