N-(1,3-benzodioxol-5-yl)-1-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]piperidine-4-carboxamide

C25H28N4O5 — CID 31383243

IUPACN-(1,3-benzodioxol-5-yl)-1-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]piperidine-4-carboxamide
SMILESCC[C@]1(c2ccccc2)NC(=O)N(CN2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)C1=O
InChIInChI=1S/C25H28N4O5/c1-2-25(18-6-4-3-5-7-18)23(31)29(24(32)27-25)15-28-12-10-17(11-13-28)22(30)26-19-8-9-20-21(14-19)34-16-33-20/h3-9,14,17H,2,10-13,15-16H2,1H3,(H,26,30)(H,27,32)/t25-/m1/s1
InChIKeyVLGWBWXYXDXLHG-RUZDIDTESA-N
MW464.52 g/mol
LogP2.88
Rot. Bonds6

About N-(1,3-benzodioxol-5-yl)-1-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]piperidine-4-carboxamide

N-(1,3-benzodioxol-5-yl)-1-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]piperidine-4-carboxamide (PubChem CID 31383243) has the molecular formula C25H28N4O5 and a molecular weight of 464.52 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-1-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-1-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]piperidine-4-carboxamide
PubChem CID31383243
Molecular FormulaC25H28N4O5
Molecular Weight464.52 g/mol
Exact Mass464.21
IUPAC NameN-(1,3-benzodioxol-5-yl)-1-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]piperidine-4-carboxamide
SMILESCC[C@]1(c2ccccc2)NC(=O)N(CN2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)C1=O
InChIInChI=1S/C25H28N4O5/c1-2-25(18-6-4-3-5-7-18)23(31)29(24(32)27-25)15-28-12-10-17(11-13-28)22(30)26-19-8-9-20-21(14-19)34-16-33-20/h3-9,14,17H,2,10-13,15-16H2,1H3,(H,26,30)(H,27,32)/t25-/m1/s1
InChIKeyVLGWBWXYXDXLHG-RUZDIDTESA-N
XLogP2.88
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]-N-phenylpiperidine-4-carboxamide
CID 9325816
N-(1,3-benzodioxol-5-yl)-1-[[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]piperidine-4-carboxamide
CID 31383195
N-(1,3-benzodioxol-5-yl)-1-[(2,4,5-trioxo-3-propylimidazolidin-1-yl)methyl]piperidine-4-carboxamide
CID 9319927
(5R)-3-[[4-(azepane-1-carbonyl)piperidin-1-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 9320030
N-(1,3-benzodioxol-5-yl)-1-[[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]piperidine-4-carboxamide
CID 31383050
N-(1,3-benzodioxol-5-yl)-1-(3-phenoxypropyl)piperidine-4-carboxamide
CID 17414500
N-(1,3-benzodioxol-5-yl)-1-[(2,6-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43921459
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 16547029
N-(1,3-benzodioxol-5-yl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
CID 2369441
N-(1,3-benzodioxol-5-yl)-1-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 43921462
N-(1,3-benzodioxol-5-yl)-1-[(1-benzylpyrrol-3-yl)methyl]piperidine-4-carboxamide
CID 167806403
N-(1,3-benzodioxol-5-yl)-1-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]piperidine-4-carboxamide
CID 40927516

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-1-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-1-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]piperidine-4-carboxamide (CID 31383243) is N-(1,3-benzodioxol-5-yl)-1-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-1-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-1-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]piperidine-4-carboxamide is CC[C@]1(c2ccccc2)NC(=O)N(CN2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)C1=O.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-1-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]piperidine-4-carboxamide?
The InChIKey is VLGWBWXYXDXLHG-RUZDIDTESA-N. The full InChI is InChI=1S/C25H28N4O5/c1-2-25(18-6-4-3-5-7-18)23(31)29(24(32)27-25)15-28-12-10-17(11-13-28)22(30)26-19-8-9-20-21(14-19)34-16-33-20/h3-9,14,17H,2,10-13,15-16H2,1H3,(H,26,30)(H,27,32)/t25-/m1/s1.
What are the key properties of N-(1,3-benzodioxol-5-yl)-1-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]piperidine-4-carboxamide?
N-(1,3-benzodioxol-5-yl)-1-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]piperidine-4-carboxamide has a molecular weight of 464.52 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-1-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 31383243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).