5,5-dimethyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione

C18H25N3O2 — CID 56811818

IUPAC5,5-dimethyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCN2CCC(c3ccccc3)CC2)C1=O
InChIInChI=1S/C18H25N3O2/c1-18(2)16(22)21(17(23)19-18)13-12-20-10-8-15(9-11-20)14-6-4-3-5-7-14/h3-7,15H,8-13H2,1-2H3,(H,19,23)
InChIKeyYKGPZHXRELQPHE-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.20
Rot. Bonds4

About 5,5-dimethyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione

5,5-dimethyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione (PubChem CID 56811818) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 5,5-dimethyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione
PubChem CID56811818
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name5,5-dimethyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCN2CCC(c3ccccc3)CC2)C1=O
InChIInChI=1S/C18H25N3O2/c1-18(2)16(22)21(17(23)19-18)13-12-20-10-8-15(9-11-20)14-6-4-3-5-7-14/h3-7,15H,8-13H2,1-2H3,(H,19,23)
InChIKeyYKGPZHXRELQPHE-UHFFFAOYSA-N
XLogP2.20
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5,5-diphenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 21481466
3-[2-(4-aminopiperidin-1-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 43556669
3-[2-[4-(1-aminoethyl)piperidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 63595701
5,5-dimethyl-3-[2-[3-(methylamino)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione;hydrochloride
CID 119905680
3-[2-[(4R)-4-phenylazepan-1-yl]ethyl]imidazolidine-2,4-dione
CID 95176586
3-[2-[3-(1-aminoethyl)pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 112630229
5-phenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]-5-pyridin-4-ylimidazolidine-2,4-dione
CID 21395250
5-(4-bromophenyl)-5-phenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]imidazolidine-2,4-dione;hydrochloride
CID 3043731
3-[2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 63309791
3-[3-(5-hydroxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione
CID 154752100
3,3-dimethyl-1-(2-pyrrolidin-1-ylethyl)-4H-quinoxalin-2-one
CID 82157117
3-[2-(4-benzoylpiperidin-1-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 136526629

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione (CID 56811818) is 5,5-dimethyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione is CC1(C)NC(=O)N(CCN2CCC(c3ccccc3)CC2)C1=O.
What is the InChIKey of 5,5-dimethyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione?
The InChIKey is YKGPZHXRELQPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-18(2)16(22)21(17(23)19-18)13-12-20-10-8-15(9-11-20)14-6-4-3-5-7-14/h3-7,15H,8-13H2,1-2H3,(H,19,23).
What are the key properties of 5,5-dimethyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione?
5,5-dimethyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione has a molecular weight of 315.42 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 56811818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).