(5R)-5-[(4-fluorophenyl)methyl]-5-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-3-[(3R)-oxolan-3-yl]imidazolidine-2,4-dione

C28H32FN3O4 — CID 42365904

IUPAC(5R)-5-[(4-fluorophenyl)methyl]-5-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-3-[(3R)-oxolan-3-yl]imidazolidine-2,4-dione
SMILESCc1ccccc1CC(=O)N1CCC([C@@]2(Cc3ccc(F)cc3)NC(=O)N([C@@H]3CCOC3)C2=O)CC1
InChIInChI=1S/C28H32FN3O4/c1-19-4-2-3-5-21(19)16-25(33)31-13-10-22(11-14-31)28(17-20-6-8-23(29)9-7-20)26(34)32(27(35)30-28)24-12-15-36-18-24/h2-9,22,24H,10-18H2,1H3,(H,30,35)/t24-,28-/m1/s1
InChIKeyGQRPOKNAGQZLNS-UFHPHHKVSA-N
MW493.58 g/mol
LogP3.24
Rot. Bonds6

About (5R)-5-[(4-fluorophenyl)methyl]-5-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-3-[(3R)-oxolan-3-yl]imidazolidine-2,4-dione

(5R)-5-[(4-fluorophenyl)methyl]-5-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-3-[(3R)-oxolan-3-yl]imidazolidine-2,4-dione (PubChem CID 42365904) has the molecular formula C28H32FN3O4 and a molecular weight of 493.58 g/mol. Its IUPAC name is (5R)-5-[(4-fluorophenyl)methyl]-5-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-3-[(3R)-oxolan-3-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[(4-fluorophenyl)methyl]-5-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-3-[(3R)-oxolan-3-yl]imidazolidine-2,4-dione
PubChem CID42365904
Molecular FormulaC28H32FN3O4
Molecular Weight493.58 g/mol
Exact Mass493.24
IUPAC Name(5R)-5-[(4-fluorophenyl)methyl]-5-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-3-[(3R)-oxolan-3-yl]imidazolidine-2,4-dione
SMILESCc1ccccc1CC(=O)N1CCC([C@@]2(Cc3ccc(F)cc3)NC(=O)N([C@@H]3CCOC3)C2=O)CC1
InChIInChI=1S/C28H32FN3O4/c1-19-4-2-3-5-21(19)16-25(33)31-13-10-22(11-14-31)28(17-20-6-8-23(29)9-7-20)26(34)32(27(35)30-28)24-12-15-36-18-24/h2-9,22,24H,10-18H2,1H3,(H,30,35)/t24-,28-/m1/s1
InChIKeyGQRPOKNAGQZLNS-UFHPHHKVSA-N
XLogP3.24
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.58
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(4-fluorophenyl)methyl]-5-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-3-[(3R)-oxolan-3-yl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[(4-fluorophenyl)methyl]-5-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-3-[(3R)-oxolan-3-yl]imidazolidine-2,4-dione (CID 42365904) is (5R)-5-[(4-fluorophenyl)methyl]-5-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-3-[(3R)-oxolan-3-yl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[(4-fluorophenyl)methyl]-5-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-3-[(3R)-oxolan-3-yl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[(4-fluorophenyl)methyl]-5-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-3-[(3R)-oxolan-3-yl]imidazolidine-2,4-dione is Cc1ccccc1CC(=O)N1CCC([C@@]2(Cc3ccc(F)cc3)NC(=O)N([C@@H]3CCOC3)C2=O)CC1.
What is the InChIKey of (5R)-5-[(4-fluorophenyl)methyl]-5-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-3-[(3R)-oxolan-3-yl]imidazolidine-2,4-dione?
The InChIKey is GQRPOKNAGQZLNS-UFHPHHKVSA-N. The full InChI is InChI=1S/C28H32FN3O4/c1-19-4-2-3-5-21(19)16-25(33)31-13-10-22(11-14-31)28(17-20-6-8-23(29)9-7-20)26(34)32(27(35)30-28)24-12-15-36-18-24/h2-9,22,24H,10-18H2,1H3,(H,30,35)/t24-,28-/m1/s1.
What are the key properties of (5R)-5-[(4-fluorophenyl)methyl]-5-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-3-[(3R)-oxolan-3-yl]imidazolidine-2,4-dione?
(5R)-5-[(4-fluorophenyl)methyl]-5-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-3-[(3R)-oxolan-3-yl]imidazolidine-2,4-dione has a molecular weight of 493.58 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(4-fluorophenyl)methyl]-5-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-3-[(3R)-oxolan-3-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 42365904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).