3-but-2-ynyl-5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione

C20H25N3O2 — CID 118760432

IUPAC3-but-2-ynyl-5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione
SMILESCC#CCN1C(=O)NC(CCc2ccccc2)(C2CCNCC2)C1=O
InChIInChI=1S/C20H25N3O2/c1-2-3-15-23-18(24)20(22-19(23)25,17-10-13-21-14-11-17)12-9-16-7-5-4-6-8-16/h4-8,17,21H,9-15H2,1H3,(H,22,25)
InChIKeyUFUVZNIAWSOCNA-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.93
Rot. Bonds5

About 3-but-2-ynyl-5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione

3-but-2-ynyl-5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione (PubChem CID 118760432) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-but-2-ynyl-5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-but-2-ynyl-5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione
PubChem CID118760432
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name3-but-2-ynyl-5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione
SMILESCC#CCN1C(=O)NC(CCc2ccccc2)(C2CCNCC2)C1=O
InChIInChI=1S/C20H25N3O2/c1-2-3-15-23-18(24)20(22-19(23)25,17-10-13-21-14-11-17)12-9-16-7-5-4-6-8-16/h4-8,17,21H,9-15H2,1H3,(H,22,25)
InChIKeyUFUVZNIAWSOCNA-UHFFFAOYSA-N
XLogP1.93
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(cyclopropylmethyl)-5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione
CID 56720812
3-but-2-ynyl-5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 45171654
3-but-2-ynyl-5-(2-phenylethyl)-5-[1-(2-phenylpropyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 45197542
(5R)-3-but-2-ynyl-5-[1-(cyclohexanecarbonyl)piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 42380464
3-but-2-ynyl-5-(2-phenylethyl)-5-[1-(pyridin-2-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 45179361
3-but-2-ynyl-5-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 45177624
3-but-2-ynyl-5-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 45199955
(5R)-5-(2-phenylethyl)-5-piperidin-4-yl-3-(pyridin-3-ylmethyl)imidazolidine-2,4-dione
CID 95221358
(5R)-3-but-2-ynyl-5-(2-phenylethyl)-5-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 42273195
(5S)-3-but-2-ynyl-5-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 42501552
(5S)-3-cyclopentyl-5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione
CID 95209787
(5S)-3-(2-fluoroethyl)-5-(3-phenylpropyl)-5-piperidin-4-ylimidazolidine-2,4-dione
CID 95216752

Frequently Asked Questions

What is the IUPAC name of 3-but-2-ynyl-5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione?
The IUPAC name of 3-but-2-ynyl-5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione (CID 118760432) is 3-but-2-ynyl-5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione.
What is the SMILES notation for 3-but-2-ynyl-5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione?
The canonical SMILES for 3-but-2-ynyl-5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione is CC#CCN1C(=O)NC(CCc2ccccc2)(C2CCNCC2)C1=O.
What is the InChIKey of 3-but-2-ynyl-5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione?
The InChIKey is UFUVZNIAWSOCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-2-3-15-23-18(24)20(22-19(23)25,17-10-13-21-14-11-17)12-9-16-7-5-4-6-8-16/h4-8,17,21H,9-15H2,1H3,(H,22,25).
What are the key properties of 3-but-2-ynyl-5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione?
3-but-2-ynyl-5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione has a molecular weight of 339.44 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-2-ynyl-5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione is sourced from PubChem (CID 118760432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).