(5R)-5-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione

C17H18FN3O3 — CID 97121739

IUPAC(5R)-5-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@@H](CCC(=O)N2CC=C(c3ccc(F)cc3)CC2)N1
InChIInChI=1S/C17H18FN3O3/c18-13-3-1-11(2-4-13)12-7-9-21(10-8-12)15(22)6-5-14-16(23)20-17(24)19-14/h1-4,7,14H,5-6,8-10H2,(H2,19,20,23,24)/t14-/m1/s1
InChIKeyJIUOLUVHYDCJIX-CQSZACIVSA-N
MW331.35 g/mol
LogP1.43
Rot. Bonds4

About (5R)-5-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione

(5R)-5-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione (PubChem CID 97121739) has the molecular formula C17H18FN3O3 and a molecular weight of 331.35 g/mol. Its IUPAC name is (5R)-5-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
PubChem CID97121739
Molecular FormulaC17H18FN3O3
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC Name(5R)-5-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@@H](CCC(=O)N2CC=C(c3ccc(F)cc3)CC2)N1
InChIInChI=1S/C17H18FN3O3/c18-13-3-1-11(2-4-13)12-7-9-21(10-8-12)15(22)6-5-14-16(23)20-17(24)19-14/h1-4,7,14H,5-6,8-10H2,(H2,19,20,23,24)/t14-/m1/s1
InChIKeyJIUOLUVHYDCJIX-CQSZACIVSA-N
XLogP1.43
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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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Related Compounds

5-[3-(7-fluoro-5-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-oxopropyl]imidazolidine-2,4-dione
CID 156822960
cyclopropane;5-[3-(7-fluoro-5-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-oxopropyl]imidazolidine-2,4-dione
CID 156822959
5-[3-oxo-3-[4-(4-phenylphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione
CID 164621686
4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 23149835
(3aR,7aR)-2-[2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 51511306
3-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
CID 166189422
1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-hydroxy-4-methylpentan-1-one
CID 177042462
1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone
CID 95720133
(5S)-5-[3-oxo-3-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propyl]imidazolidine-2,4-dione
CID 170509553
1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[(5R,7R)-3-hydroxy-1-adamantyl]ethanone
CID 98168287
(5S)-5-[3-oxo-3-(3-piperidin-1-ylazetidin-1-yl)propyl]imidazolidine-2,4-dione
CID 131942530
2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 125179585

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione (CID 97121739) is (5R)-5-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione is O=C1NC(=O)[C@@H](CCC(=O)N2CC=C(c3ccc(F)cc3)CC2)N1.
What is the InChIKey of (5R)-5-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The InChIKey is JIUOLUVHYDCJIX-CQSZACIVSA-N. The full InChI is InChI=1S/C17H18FN3O3/c18-13-3-1-11(2-4-13)12-7-9-21(10-8-12)15(22)6-5-14-16(23)20-17(24)19-14/h1-4,7,14H,5-6,8-10H2,(H2,19,20,23,24)/t14-/m1/s1.
What are the key properties of (5R)-5-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
(5R)-5-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione has a molecular weight of 331.35 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 97121739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).