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

C15H16F3N3O3S — CID 126851004

IUPAC1-[1-(thiophene-2-carbonyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
SMILESO=C(c1cccs1)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1
InChIInChI=1S/C15H16F3N3O3S/c16-15(17,18)9-21-12(22)8-20(14(21)24)10-3-5-19(6-4-10)13(23)11-2-1-7-25-11/h1-2,7,10H,3-6,8-9H2
InChIKeyBUNPDMMMPSHHMD-UHFFFAOYSA-N
MW375.37 g/mol
LogP2.18
Rot. Bonds3

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

1-[1-(thiophene-2-carbonyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione (PubChem CID 126851004) has the molecular formula C15H16F3N3O3S and a molecular weight of 375.37 g/mol. Its IUPAC name is 1-[1-(thiophene-2-carbonyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[1-(thiophene-2-carbonyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
PubChem CID126851004
Molecular FormulaC15H16F3N3O3S
Molecular Weight375.37 g/mol
Exact Mass375.09
IUPAC Name1-[1-(thiophene-2-carbonyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
SMILESO=C(c1cccs1)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1
InChIInChI=1S/C15H16F3N3O3S/c16-15(17,18)9-21-12(22)8-20(14(21)24)10-3-5-19(6-4-10)13(23)11-2-1-7-25-11/h1-2,7,10H,3-6,8-9H2
InChIKeyBUNPDMMMPSHHMD-UHFFFAOYSA-N
XLogP2.18
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.37
LogP ≤ 52.18
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

N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide
CID 3245898
N-(1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl)thiophene-2-carboxamide
CID 662714
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethylthiophene-2-carboxamide
CID 8933620
[3-Methyl-4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-thiophen-2-ylmethanone
CID 2896965
N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)-4-imidazolidinyl]-2-thiophenecarboxamide
CID 2962137
[4-(Propan-2-yl)piperazin-1-yl](thiophen-2-yl)methanone
CID 764856
1,3-Bis(2-thienylcarbonyl)tetrahydro-2(1H)-pyrimidinethione
CID 391224
N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)-4-imidazolidinyl]-2-thiophenecarboxamide
CID 2962322
[(2S,4S)-4-fluoro-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone
CID 110875922
[(2S,4S)-4-fluoro-1-(3-methylthiophene-2-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone
CID 110875928
[(2S,4S)-4-fluoro-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 110876012
N-propan-2-yl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
CID 47128041

Frequently Asked Questions

What is the IUPAC name of 1-[1-(thiophene-2-carbonyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
The IUPAC name of 1-[1-(thiophene-2-carbonyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione (CID 126851004) is 1-[1-(thiophene-2-carbonyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-[1-(thiophene-2-carbonyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-[1-(thiophene-2-carbonyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione is O=C(c1cccs1)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1.
What is the InChIKey of 1-[1-(thiophene-2-carbonyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
The InChIKey is BUNPDMMMPSHHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O3S/c16-15(17,18)9-21-12(22)8-20(14(21)24)10-3-5-19(6-4-10)13(23)11-2-1-7-25-11/h1-2,7,10H,3-6,8-9H2.
What are the key properties of 1-[1-(thiophene-2-carbonyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
1-[1-(thiophene-2-carbonyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione has a molecular weight of 375.37 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(thiophene-2-carbonyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 126851004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).