(5R)-5-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]imidazolidine-2,4-dione

C27H36FN3O4 — CID 42318147

IUPAC(5R)-5-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]imidazolidine-2,4-dione
SMILESCOCCN1C(=O)N[C@](Cc2cccc(F)c2)(C2CCN(CC[C@@H](C)c3ccc(C)o3)CC2)C1=O
InChIInChI=1S/C27H36FN3O4/c1-19(24-8-7-20(2)35-24)9-12-30-13-10-22(11-14-30)27(18-21-5-4-6-23(28)17-21)25(32)31(15-16-34-3)26(33)29-27/h4-8,17,19,22H,9-16,18H2,1-3H3,(H,29,33)/t19-,27-/m1/s1
InChIKeyOLCVOCFBPHWZFV-XHCCPWGMSA-N
MW485.60 g/mol
LogP4.11
Rot. Bonds10

About (5R)-5-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]imidazolidine-2,4-dione

(5R)-5-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 42318147) has the molecular formula C27H36FN3O4 and a molecular weight of 485.60 g/mol. Its IUPAC name is (5R)-5-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID42318147
Molecular FormulaC27H36FN3O4
Molecular Weight485.60 g/mol
Exact Mass485.27
IUPAC Name(5R)-5-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]imidazolidine-2,4-dione
SMILESCOCCN1C(=O)N[C@](Cc2cccc(F)c2)(C2CCN(CC[C@@H](C)c3ccc(C)o3)CC2)C1=O
InChIInChI=1S/C27H36FN3O4/c1-19(24-8-7-20(2)35-24)9-12-30-13-10-22(11-14-30)27(18-21-5-4-6-23(28)17-21)25(32)31(15-16-34-3)26(33)29-27/h4-8,17,19,22H,9-16,18H2,1-3H3,(H,29,33)/t19-,27-/m1/s1
InChIKeyOLCVOCFBPHWZFV-XHCCPWGMSA-N
XLogP4.11
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.60
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]imidazolidine-2,4-dione (CID 42318147) is (5R)-5-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]imidazolidine-2,4-dione is COCCN1C(=O)N[C@](Cc2cccc(F)c2)(C2CCN(CC[C@@H](C)c3ccc(C)o3)CC2)C1=O.
What is the InChIKey of (5R)-5-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is OLCVOCFBPHWZFV-XHCCPWGMSA-N. The full InChI is InChI=1S/C27H36FN3O4/c1-19(24-8-7-20(2)35-24)9-12-30-13-10-22(11-14-30)27(18-21-5-4-6-23(28)17-21)25(32)31(15-16-34-3)26(33)29-27/h4-8,17,19,22H,9-16,18H2,1-3H3,(H,29,33)/t19-,27-/m1/s1.
What are the key properties of (5R)-5-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]imidazolidine-2,4-dione?
(5R)-5-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 485.60 g/mol, XLogP of 4.11, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 42318147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).