5,5-dimethyl-3-[3-oxo-3-[(2S)-2-[1-(2-phenoxyacetyl)piperidin-4-yl]piperidin-1-yl]propyl]imidazolidine-2,4-dione

C26H36N4O5 — CID 125003841

IUPAC5,5-dimethyl-3-[3-oxo-3-[(2S)-2-[1-(2-phenoxyacetyl)piperidin-4-yl]piperidin-1-yl]propyl]imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)COc3ccccc3)CC2)C1=O
InChIInChI=1S/C26H36N4O5/c1-26(2)24(33)30(25(34)27-26)17-13-22(31)29-14-7-6-10-21(29)19-11-15-28(16-12-19)23(32)18-35-20-8-4-3-5-9-20/h3-5,8-9,19,21H,6-7,10-18H2,1-2H3,(H,27,34)/t21-/m0/s1
InChIKeySUGDBUOFLMQVQB-NRFANRHFSA-N
MW484.60 g/mol
LogP2.41
Rot. Bonds7

About 5,5-dimethyl-3-[3-oxo-3-[(2S)-2-[1-(2-phenoxyacetyl)piperidin-4-yl]piperidin-1-yl]propyl]imidazolidine-2,4-dione

5,5-dimethyl-3-[3-oxo-3-[(2S)-2-[1-(2-phenoxyacetyl)piperidin-4-yl]piperidin-1-yl]propyl]imidazolidine-2,4-dione (PubChem CID 125003841) has the molecular formula C26H36N4O5 and a molecular weight of 484.60 g/mol. Its IUPAC name is 5,5-dimethyl-3-[3-oxo-3-[(2S)-2-[1-(2-phenoxyacetyl)piperidin-4-yl]piperidin-1-yl]propyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[3-oxo-3-[(2S)-2-[1-(2-phenoxyacetyl)piperidin-4-yl]piperidin-1-yl]propyl]imidazolidine-2,4-dione
PubChem CID125003841
Molecular FormulaC26H36N4O5
Molecular Weight484.60 g/mol
Exact Mass484.27
IUPAC Name5,5-dimethyl-3-[3-oxo-3-[(2S)-2-[1-(2-phenoxyacetyl)piperidin-4-yl]piperidin-1-yl]propyl]imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)COc3ccccc3)CC2)C1=O
InChIInChI=1S/C26H36N4O5/c1-26(2)24(33)30(25(34)27-26)17-13-22(31)29-14-7-6-10-21(29)19-11-15-28(16-12-19)23(32)18-35-20-8-4-3-5-9-20/h3-5,8-9,19,21H,6-7,10-18H2,1-2H3,(H,27,34)/t21-/m0/s1
InChIKeySUGDBUOFLMQVQB-NRFANRHFSA-N
XLogP2.41
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-oxo-2-[(2S)-2-[1-(2-phenoxyacetyl)piperidin-4-yl]piperidin-1-yl]ethyl]piperidine-4-carboxamide
CID 124991852
1-(2-cyclopropylpyrrolidin-1-yl)-2-phenoxyethanone
CID 110871787
3-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 43393443
1-[2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]piperidin-1-yl]-2-phenoxyethanone
CID 110252786
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-2-phenoxyethanone
CID 56783112
2-phenoxy-1-[4-[(2R)-1-[3-(1,2,4-triazol-4-yl)benzoyl]piperidin-2-yl]piperidin-1-yl]ethanone
CID 124994913
1-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-2-phenoxyethanone
CID 110797836
1-[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone
CID 55630806
3-[4-[2-(4-methoxyphenyl)azepan-1-yl]-4-oxobutyl]-5,5-dimethylimidazolidine-2,4-dione
CID 47013106
1-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-phenoxyethanone
CID 95293830
1-(2-methoxyacetyl)-4-(2-phenoxyacetyl)-3,5,6,7,8a,9,10,11,12,12a-decahydro-2H-benzo[h][1,4,7]triazecin-8-one
CID 156612266

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[3-oxo-3-[(2S)-2-[1-(2-phenoxyacetyl)piperidin-4-yl]piperidin-1-yl]propyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[3-oxo-3-[(2S)-2-[1-(2-phenoxyacetyl)piperidin-4-yl]piperidin-1-yl]propyl]imidazolidine-2,4-dione (CID 125003841) is 5,5-dimethyl-3-[3-oxo-3-[(2S)-2-[1-(2-phenoxyacetyl)piperidin-4-yl]piperidin-1-yl]propyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-[3-oxo-3-[(2S)-2-[1-(2-phenoxyacetyl)piperidin-4-yl]piperidin-1-yl]propyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[3-oxo-3-[(2S)-2-[1-(2-phenoxyacetyl)piperidin-4-yl]piperidin-1-yl]propyl]imidazolidine-2,4-dione is CC1(C)NC(=O)N(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)COc3ccccc3)CC2)C1=O.
What is the InChIKey of 5,5-dimethyl-3-[3-oxo-3-[(2S)-2-[1-(2-phenoxyacetyl)piperidin-4-yl]piperidin-1-yl]propyl]imidazolidine-2,4-dione?
The InChIKey is SUGDBUOFLMQVQB-NRFANRHFSA-N. The full InChI is InChI=1S/C26H36N4O5/c1-26(2)24(33)30(25(34)27-26)17-13-22(31)29-14-7-6-10-21(29)19-11-15-28(16-12-19)23(32)18-35-20-8-4-3-5-9-20/h3-5,8-9,19,21H,6-7,10-18H2,1-2H3,(H,27,34)/t21-/m0/s1.
What are the key properties of 5,5-dimethyl-3-[3-oxo-3-[(2S)-2-[1-(2-phenoxyacetyl)piperidin-4-yl]piperidin-1-yl]propyl]imidazolidine-2,4-dione?
5,5-dimethyl-3-[3-oxo-3-[(2S)-2-[1-(2-phenoxyacetyl)piperidin-4-yl]piperidin-1-yl]propyl]imidazolidine-2,4-dione has a molecular weight of 484.60 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[3-oxo-3-[(2S)-2-[1-(2-phenoxyacetyl)piperidin-4-yl]piperidin-1-yl]propyl]imidazolidine-2,4-dione is sourced from PubChem (CID 125003841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).