1-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione

C15H15ClF3N3O3S — CID 126852957

IUPAC1-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
SMILESO=C(c1ccc(Cl)s1)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1
InChIInChI=1S/C15H15ClF3N3O3S/c16-11-2-1-10(26-11)13(24)20-5-3-9(4-6-20)21-7-12(23)22(14(21)25)8-15(17,18)19/h1-2,9H,3-8H2
InChIKeyZFLHFAGHGSKWIA-UHFFFAOYSA-N
MW409.82 g/mol
LogP2.83
Rot. Bonds3

About 1-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione

1-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione (PubChem CID 126852957) has the molecular formula C15H15ClF3N3O3S and a molecular weight of 409.82 g/mol. Its IUPAC name is 1-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
PubChem CID126852957
Molecular FormulaC15H15ClF3N3O3S
Molecular Weight409.82 g/mol
Exact Mass409.05
IUPAC Name1-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
SMILESO=C(c1ccc(Cl)s1)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1
InChIInChI=1S/C15H15ClF3N3O3S/c16-11-2-1-10(26-11)13(24)20-5-3-9(4-6-20)21-7-12(23)22(14(21)25)8-15(17,18)19/h1-2,9H,3-8H2
InChIKeyZFLHFAGHGSKWIA-UHFFFAOYSA-N
XLogP2.83
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.82
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

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CID 126851004
CID 126851004

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
The IUPAC name of 1-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione (CID 126852957) is 1-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione is O=C(c1ccc(Cl)s1)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1.
What is the InChIKey of 1-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
The InChIKey is ZFLHFAGHGSKWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF3N3O3S/c16-11-2-1-10(26-11)13(24)20-5-3-9(4-6-20)21-7-12(23)22(14(21)25)8-15(17,18)19/h1-2,9H,3-8H2.
What are the key properties of 1-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
1-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione has a molecular weight of 409.82 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 126852957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).