N-[1-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide

C25H28N4O3 — CID 36781248

IUPACN-[1-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide
SMILESO=C(NC1CCN(CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)CC1)C1CC1
InChIInChI=1S/C25H28N4O3/c30-22(18-11-12-18)26-21-13-15-28(16-14-21)17-29-23(31)25(27-24(29)32,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,18,21H,11-17H2,(H,26,30)(H,27,32)
InChIKeyCJXOJMUQRDTZNN-UHFFFAOYSA-N
MW432.52 g/mol
LogP2.43
Rot. Bonds6

About N-[1-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide

N-[1-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide (PubChem CID 36781248) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-[1-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide
PubChem CID36781248
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC NameN-[1-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide
SMILESO=C(NC1CCN(CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)CC1)C1CC1
InChIInChI=1S/C25H28N4O3/c30-22(18-11-12-18)26-21-13-15-28(16-14-21)17-29-23(31)25(27-24(29)32,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,18,21H,11-17H2,(H,26,30)(H,27,32)
InChIKeyCJXOJMUQRDTZNN-UHFFFAOYSA-N
XLogP2.43
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[1-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide with MolForge

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Related Compounds

2-[4-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]piperazin-1-yl]-N-phenylacetamide
CID 55511357
1-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]-N-phenylpiperidine-4-carboxamide
CID 9325816
(5S)-5-(3,4-dimethylphenyl)-5-phenyl-3-(piperidin-1-ylmethyl)imidazolidine-2,4-dione
CID 9184161
5,5-diphenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 21481466
5,5-diphenyl-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]imidazolidine-2,4-dione
CID 31384492
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
3-(2-oxobutyl)-5,5-diphenylimidazolidine-2,4-dione
CID 51108463
(5R)-3-[[4-(azepane-1-carbonyl)piperidin-1-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 9320030
(5R)-5-(3,4-dimethylphenyl)-3-(morpholin-4-ylmethyl)-5-phenylimidazolidine-2,4-dione
CID 9193313
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide
CID 37476276
N-[1-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide
CID 36787144
N-cyclopropyl-1-[(4-phenylpyrazol-1-yl)methyl]piperidine-4-carboxamide
CID 51097163

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide (CID 36781248) is N-[1-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide is O=C(NC1CCN(CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)CC1)C1CC1.
What is the InChIKey of N-[1-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide?
The InChIKey is CJXOJMUQRDTZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c30-22(18-11-12-18)26-21-13-15-28(16-14-21)17-29-23(31)25(27-24(29)32,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,18,21H,11-17H2,(H,26,30)(H,27,32).
What are the key properties of N-[1-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide?
N-[1-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide has a molecular weight of 432.52 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 36781248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).