[4-[[(1-benzylpiperidin-4-yl)methylamino]methyl]-2,5-dioxoimidazolidin-1-yl] 4-(4-methoxyphenyl)piperazine-1-carboxylate

C29H38N6O5 — CID 129310240

IUPAC[4-[[(1-benzylpiperidin-4-yl)methylamino]methyl]-2,5-dioxoimidazolidin-1-yl] 4-(4-methoxyphenyl)piperazine-1-carboxylate
SMILESCOc1ccc(N2CCN(C(=O)ON3C(=O)NC(CNCC4CCN(Cc5ccccc5)CC4)C3=O)CC2)cc1
InChIInChI=1S/C29H38N6O5/c1-39-25-9-7-24(8-10-25)33-15-17-34(18-16-33)29(38)40-35-27(36)26(31-28(35)37)20-30-19-22-11-13-32(14-12-22)21-23-5-3-2-4-6-23/h2-10,22,26,30H,11-21H2,1H3,(H,31,37)
InChIKeyYDNGMDQIHMGEKL-UHFFFAOYSA-N
MW550.66 g/mol
LogP2.29
Rot. Bonds9

About [4-[[(1-benzylpiperidin-4-yl)methylamino]methyl]-2,5-dioxoimidazolidin-1-yl] 4-(4-methoxyphenyl)piperazine-1-carboxylate

[4-[[(1-benzylpiperidin-4-yl)methylamino]methyl]-2,5-dioxoimidazolidin-1-yl] 4-(4-methoxyphenyl)piperazine-1-carboxylate (PubChem CID 129310240) has the molecular formula C29H38N6O5 and a molecular weight of 550.66 g/mol. Its IUPAC name is [4-[[(1-benzylpiperidin-4-yl)methylamino]methyl]-2,5-dioxoimidazolidin-1-yl] 4-(4-methoxyphenyl)piperazine-1-carboxylate.

Molecular Properties

Compound Name[4-[[(1-benzylpiperidin-4-yl)methylamino]methyl]-2,5-dioxoimidazolidin-1-yl] 4-(4-methoxyphenyl)piperazine-1-carboxylate
PubChem CID129310240
Molecular FormulaC29H38N6O5
Molecular Weight550.66 g/mol
Exact Mass550.29
IUPAC Name[4-[[(1-benzylpiperidin-4-yl)methylamino]methyl]-2,5-dioxoimidazolidin-1-yl] 4-(4-methoxyphenyl)piperazine-1-carboxylate
SMILESCOc1ccc(N2CCN(C(=O)ON3C(=O)NC(CNCC4CCN(Cc5ccccc5)CC4)C3=O)CC2)cc1
InChIInChI=1S/C29H38N6O5/c1-39-25-9-7-24(8-10-25)33-15-17-34(18-16-33)29(38)40-35-27(36)26(31-28(35)37)20-30-19-22-11-13-32(14-12-22)21-23-5-3-2-4-6-23/h2-10,22,26,30H,11-21H2,1H3,(H,31,37)
InChIKeyYDNGMDQIHMGEKL-UHFFFAOYSA-N
XLogP2.29
TPSA106.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.66
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze [4-[[(1-benzylpiperidin-4-yl)methylamino]methyl]-2,5-dioxoimidazolidin-1-yl] 4-(4-methoxyphenyl)piperazine-1-carboxylate 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

(4-benzylpiperazin-1-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 108989482
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 16895674
N-(1-benzylpiperidin-4-yl)-2-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 75490538
2-(4-benzyl-1,4-diazepan-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 46514228
[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,5-dioxoimidazolidin-1-yl] 4-(4-prop-2-ynoxyphenyl)piperazine-1-carboxylate
CID 129310286
N-[(1-benzylpiperidin-4-yl)methyl]-1-(4-methoxyphenyl)methanesulfonamide
CID 16887837
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 60586835
4-[3-(4-benzylpiperazine-1-carbonyl)pyrrolidine-1-carbonyl]-1-(4-methoxyphenyl)imidazolidin-2-one
CID 134791901
(5S)-5-benzyl-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione
CID 51565311
(5S)-3-benzyl-5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 40829971
N-[(1-benzylpiperidin-4-yl)methyl]-3-methoxybenzamide
CID 16895714
methane;methyl 2-(1-benzylpiperidin-4-yl)acetate
CID 78582433

Frequently Asked Questions

What is the IUPAC name of [4-[[(1-benzylpiperidin-4-yl)methylamino]methyl]-2,5-dioxoimidazolidin-1-yl] 4-(4-methoxyphenyl)piperazine-1-carboxylate?
The IUPAC name of [4-[[(1-benzylpiperidin-4-yl)methylamino]methyl]-2,5-dioxoimidazolidin-1-yl] 4-(4-methoxyphenyl)piperazine-1-carboxylate (CID 129310240) is [4-[[(1-benzylpiperidin-4-yl)methylamino]methyl]-2,5-dioxoimidazolidin-1-yl] 4-(4-methoxyphenyl)piperazine-1-carboxylate.
What is the SMILES notation for [4-[[(1-benzylpiperidin-4-yl)methylamino]methyl]-2,5-dioxoimidazolidin-1-yl] 4-(4-methoxyphenyl)piperazine-1-carboxylate?
The canonical SMILES for [4-[[(1-benzylpiperidin-4-yl)methylamino]methyl]-2,5-dioxoimidazolidin-1-yl] 4-(4-methoxyphenyl)piperazine-1-carboxylate is COc1ccc(N2CCN(C(=O)ON3C(=O)NC(CNCC4CCN(Cc5ccccc5)CC4)C3=O)CC2)cc1.
What is the InChIKey of [4-[[(1-benzylpiperidin-4-yl)methylamino]methyl]-2,5-dioxoimidazolidin-1-yl] 4-(4-methoxyphenyl)piperazine-1-carboxylate?
The InChIKey is YDNGMDQIHMGEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N6O5/c1-39-25-9-7-24(8-10-25)33-15-17-34(18-16-33)29(38)40-35-27(36)26(31-28(35)37)20-30-19-22-11-13-32(14-12-22)21-23-5-3-2-4-6-23/h2-10,22,26,30H,11-21H2,1H3,(H,31,37).
What are the key properties of [4-[[(1-benzylpiperidin-4-yl)methylamino]methyl]-2,5-dioxoimidazolidin-1-yl] 4-(4-methoxyphenyl)piperazine-1-carboxylate?
[4-[[(1-benzylpiperidin-4-yl)methylamino]methyl]-2,5-dioxoimidazolidin-1-yl] 4-(4-methoxyphenyl)piperazine-1-carboxylate has a molecular weight of 550.66 g/mol, XLogP of 2.29, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(1-benzylpiperidin-4-yl)methylamino]methyl]-2,5-dioxoimidazolidin-1-yl] 4-(4-methoxyphenyl)piperazine-1-carboxylate is sourced from PubChem (CID 129310240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).