(5S)-3-(2-fluoroethyl)-5-(3-phenylpropyl)-5-piperidin-4-ylimidazolidine-2,4-dione

C19H26FN3O2 — CID 95216752

IUPAC(5S)-3-(2-fluoroethyl)-5-(3-phenylpropyl)-5-piperidin-4-ylimidazolidine-2,4-dione
SMILESO=C1N[C@@](CCCc2ccccc2)(C2CCNCC2)C(=O)N1CCF
InChIInChI=1S/C19H26FN3O2/c20-11-14-23-17(24)19(22-18(23)25,16-8-12-21-13-9-16)10-4-7-15-5-2-1-3-6-15/h1-3,5-6,16,21H,4,7-14H2,(H,22,25)/t19-/m0/s1
InChIKeyRGAGKTKOONFZNI-IBGZPJMESA-N
MW347.43 g/mol
LogP2.27
Rot. Bonds7

About (5S)-3-(2-fluoroethyl)-5-(3-phenylpropyl)-5-piperidin-4-ylimidazolidine-2,4-dione

(5S)-3-(2-fluoroethyl)-5-(3-phenylpropyl)-5-piperidin-4-ylimidazolidine-2,4-dione (PubChem CID 95216752) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is (5S)-3-(2-fluoroethyl)-5-(3-phenylpropyl)-5-piperidin-4-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-(2-fluoroethyl)-5-(3-phenylpropyl)-5-piperidin-4-ylimidazolidine-2,4-dione
PubChem CID95216752
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC Name(5S)-3-(2-fluoroethyl)-5-(3-phenylpropyl)-5-piperidin-4-ylimidazolidine-2,4-dione
SMILESO=C1N[C@@](CCCc2ccccc2)(C2CCNCC2)C(=O)N1CCF
InChIInChI=1S/C19H26FN3O2/c20-11-14-23-17(24)19(22-18(23)25,16-8-12-21-13-9-16)10-4-7-15-5-2-1-3-6-15/h1-3,5-6,16,21H,4,7-14H2,(H,22,25)/t19-/m0/s1
InChIKeyRGAGKTKOONFZNI-IBGZPJMESA-N
XLogP2.27
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-(2-fluoroethyl)-5-(3-phenylpropyl)-5-piperidin-4-ylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-(2-fluoroethyl)-5-(3-phenylpropyl)-5-piperidin-4-ylimidazolidine-2,4-dione (CID 95216752) is (5S)-3-(2-fluoroethyl)-5-(3-phenylpropyl)-5-piperidin-4-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-(2-fluoroethyl)-5-(3-phenylpropyl)-5-piperidin-4-ylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-(2-fluoroethyl)-5-(3-phenylpropyl)-5-piperidin-4-ylimidazolidine-2,4-dione is O=C1N[C@@](CCCc2ccccc2)(C2CCNCC2)C(=O)N1CCF.
What is the InChIKey of (5S)-3-(2-fluoroethyl)-5-(3-phenylpropyl)-5-piperidin-4-ylimidazolidine-2,4-dione?
The InChIKey is RGAGKTKOONFZNI-IBGZPJMESA-N. The full InChI is InChI=1S/C19H26FN3O2/c20-11-14-23-17(24)19(22-18(23)25,16-8-12-21-13-9-16)10-4-7-15-5-2-1-3-6-15/h1-3,5-6,16,21H,4,7-14H2,(H,22,25)/t19-/m0/s1.
What are the key properties of (5S)-3-(2-fluoroethyl)-5-(3-phenylpropyl)-5-piperidin-4-ylimidazolidine-2,4-dione?
(5S)-3-(2-fluoroethyl)-5-(3-phenylpropyl)-5-piperidin-4-ylimidazolidine-2,4-dione has a molecular weight of 347.43 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(2-fluoroethyl)-5-(3-phenylpropyl)-5-piperidin-4-ylimidazolidine-2,4-dione is sourced from PubChem (CID 95216752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).