[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate

C25H34N4O5 — CID 55475100

IUPAC[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
SMILESCC(OC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O)C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C25H34N4O5/c1-19(22(31)28-15-13-27(14-16-28)17-20-9-5-3-6-10-20)34-21(30)18-29-23(32)25(26(2)24(29)33)11-7-4-8-12-25/h3,5-6,9-10,19H,4,7-8,11-18H2,1-2H3
InChIKeyGOMMOQCHKWUSBH-UHFFFAOYSA-N
MW470.57 g/mol
LogP1.86
Rot. Bonds6

About [1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate

[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate (PubChem CID 55475100) has the molecular formula C25H34N4O5 and a molecular weight of 470.57 g/mol. Its IUPAC name is [1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate.

Molecular Properties

Compound Name[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
PubChem CID55475100
Molecular FormulaC25H34N4O5
Molecular Weight470.57 g/mol
Exact Mass470.25
IUPAC Name[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
SMILESCC(OC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O)C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C25H34N4O5/c1-19(22(31)28-15-13-27(14-16-28)17-20-9-5-3-6-10-20)34-21(30)18-29-23(32)25(26(2)24(29)33)11-7-4-8-12-25/h3,5-6,9-10,19H,4,7-8,11-18H2,1-2H3
InChIKeyGOMMOQCHKWUSBH-UHFFFAOYSA-N
XLogP1.86
TPSA90.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate with MolForge

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

Launch Full Analysis

Related Compounds

[1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 55367108
[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 26201709
[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 4-oxo-4-phenylbutanoate
CID 55355067
[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2,2-diphenylacetate
CID 4833570
1-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7494626
N-benzyl-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-phenylacetamide
CID 31927853
[1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 55422952
3-benzyl-8-[(2R)-1-hydroxypropan-2-yl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26141030
(4-tert-butylphenyl)methyl 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 55367183
1-(4-benzylpiperazin-1-yl)-2-methylpropan-1-one;methane;2-methyl-1-piperidin-1-ylpropan-1-one
CID 161283045
[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 55367166
[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoate
CID 55476261

Frequently Asked Questions

What is the IUPAC name of [1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
The IUPAC name of [1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate (CID 55475100) is [1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate.
What is the SMILES notation for [1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
The canonical SMILES for [1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate is CC(OC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O)C(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of [1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
The InChIKey is GOMMOQCHKWUSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O5/c1-19(22(31)28-15-13-27(14-16-28)17-20-9-5-3-6-10-20)34-21(30)18-29-23(32)25(26(2)24(29)33)11-7-4-8-12-25/h3,5-6,9-10,19H,4,7-8,11-18H2,1-2H3.
What are the key properties of [1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate has a molecular weight of 470.57 g/mol, XLogP of 1.86, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate is sourced from PubChem (CID 55475100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).