(5R)-5-[2-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

C17H18FN3O3 — CID 95580339

IUPAC(5R)-5-[2-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@@H](CC(=O)N2CCC(=Cc3cccc(F)c3)CC2)N1
InChIInChI=1S/C17H18FN3O3/c18-13-3-1-2-12(9-13)8-11-4-6-21(7-5-11)15(22)10-14-16(23)20-17(24)19-14/h1-3,8-9,14H,4-7,10H2,(H2,19,20,23,24)/t14-/m1/s1
InChIKeyYOEUEYPKAUNQJL-CQSZACIVSA-N
MW331.35 g/mol
LogP1.43
Rot. Bonds3

About (5R)-5-[2-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

(5R)-5-[2-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 95580339) has the molecular formula C17H18FN3O3 and a molecular weight of 331.35 g/mol. Its IUPAC name is (5R)-5-[2-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[2-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID95580339
Molecular FormulaC17H18FN3O3
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC Name(5R)-5-[2-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@@H](CC(=O)N2CCC(=Cc3cccc(F)c3)CC2)N1
InChIInChI=1S/C17H18FN3O3/c18-13-3-1-2-12(9-13)8-11-4-6-21(7-5-11)15(22)10-14-16(23)20-17(24)19-14/h1-3,8-9,14H,4-7,10H2,(H2,19,20,23,24)/t14-/m1/s1
InChIKeyYOEUEYPKAUNQJL-CQSZACIVSA-N
XLogP1.43
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 51.43
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 (5R)-5-[2-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[2-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (CID 95580339) is (5R)-5-[2-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[2-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[2-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is O=C1NC(=O)[C@@H](CC(=O)N2CCC(=Cc3cccc(F)c3)CC2)N1.
What is the InChIKey of (5R)-5-[2-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is YOEUEYPKAUNQJL-CQSZACIVSA-N. The full InChI is InChI=1S/C17H18FN3O3/c18-13-3-1-2-12(9-13)8-11-4-6-21(7-5-11)15(22)10-14-16(23)20-17(24)19-14/h1-3,8-9,14H,4-7,10H2,(H2,19,20,23,24)/t14-/m1/s1.
What are the key properties of (5R)-5-[2-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
(5R)-5-[2-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 331.35 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[2-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 95580339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).