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

C23H34FN3O3 — CID 45170715

IUPAC5-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(2-methylbutyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESCCC(C)CN1CCC(C2(Cc3cccc(F)c3)NC(=O)N(CCOC)C2=O)CC1
InChIInChI=1S/C23H34FN3O3/c1-4-17(2)16-26-10-8-19(9-11-26)23(15-18-6-5-7-20(24)14-18)21(28)27(12-13-30-3)22(29)25-23/h5-7,14,17,19H,4,8-13,15-16H2,1-3H3,(H,25,29)
InChIKeyVWDUATMGIIWBQR-UHFFFAOYSA-N
MW419.54 g/mol
LogP3.06
Rot. Bonds9

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

5-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(2-methylbutyl)piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 45170715) has the molecular formula C23H34FN3O3 and a molecular weight of 419.54 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(2-methylbutyl)piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(2-methylbutyl)piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID45170715
Molecular FormulaC23H34FN3O3
Molecular Weight419.54 g/mol
Exact Mass419.26
IUPAC Name5-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(2-methylbutyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESCCC(C)CN1CCC(C2(Cc3cccc(F)c3)NC(=O)N(CCOC)C2=O)CC1
InChIInChI=1S/C23H34FN3O3/c1-4-17(2)16-26-10-8-19(9-11-26)23(15-18-6-5-7-20(24)14-18)21(28)27(12-13-30-3)22(29)25-23/h5-7,14,17,19H,4,8-13,15-16H2,1-3H3,(H,25,29)
InChIKeyVWDUATMGIIWBQR-UHFFFAOYSA-N
XLogP3.06
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.54
LogP ≤ 53.06
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 5-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(2-methylbutyl)piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of 5-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(2-methylbutyl)piperidin-4-yl]imidazolidine-2,4-dione (CID 45170715) is 5-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(2-methylbutyl)piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(2-methylbutyl)piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(2-methylbutyl)piperidin-4-yl]imidazolidine-2,4-dione is CCC(C)CN1CCC(C2(Cc3cccc(F)c3)NC(=O)N(CCOC)C2=O)CC1.
What is the InChIKey of 5-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(2-methylbutyl)piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is VWDUATMGIIWBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34FN3O3/c1-4-17(2)16-26-10-8-19(9-11-26)23(15-18-6-5-7-20(24)14-18)21(28)27(12-13-30-3)22(29)25-23/h5-7,14,17,19H,4,8-13,15-16H2,1-3H3,(H,25,29).
What are the key properties of 5-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(2-methylbutyl)piperidin-4-yl]imidazolidine-2,4-dione?
5-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(2-methylbutyl)piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 419.54 g/mol, XLogP of 3.06, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(2-methylbutyl)piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 45170715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).