2,2,2-trifluoroethyl 4-[(5-methoxycarbonylthiophen-2-yl)carbamoyl]piperidine-1-carboxylate

C15H17F3N2O5S — CID 24587007

IUPAC2,2,2-trifluoroethyl 4-[(5-methoxycarbonylthiophen-2-yl)carbamoyl]piperidine-1-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)C2CCN(C(=O)OCC(F)(F)F)CC2)s1
InChIInChI=1S/C15H17F3N2O5S/c1-24-13(22)10-2-3-11(26-10)19-12(21)9-4-6-20(7-5-9)14(23)25-8-15(16,17)18/h2-3,9H,4-8H2,1H3,(H,19,21)
InChIKeyVDSQLGZINKMMAO-UHFFFAOYSA-N
MW394.37 g/mol
LogP2.88
Rot. Bonds4

About 2,2,2-trifluoroethyl 4-[(5-methoxycarbonylthiophen-2-yl)carbamoyl]piperidine-1-carboxylate

2,2,2-trifluoroethyl 4-[(5-methoxycarbonylthiophen-2-yl)carbamoyl]piperidine-1-carboxylate (PubChem CID 24587007) has the molecular formula C15H17F3N2O5S and a molecular weight of 394.37 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl 4-[(5-methoxycarbonylthiophen-2-yl)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl 4-[(5-methoxycarbonylthiophen-2-yl)carbamoyl]piperidine-1-carboxylate
PubChem CID24587007
Molecular FormulaC15H17F3N2O5S
Molecular Weight394.37 g/mol
Exact Mass394.08
IUPAC Name2,2,2-trifluoroethyl 4-[(5-methoxycarbonylthiophen-2-yl)carbamoyl]piperidine-1-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)C2CCN(C(=O)OCC(F)(F)F)CC2)s1
InChIInChI=1S/C15H17F3N2O5S/c1-24-13(22)10-2-3-11(26-10)19-12(21)9-4-6-20(7-5-9)14(23)25-8-15(16,17)18/h2-3,9H,4-8H2,1H3,(H,19,21)
InChIKeyVDSQLGZINKMMAO-UHFFFAOYSA-N
XLogP2.88
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl 4-[(5-methoxycarbonylthiophen-2-yl)carbamoyl]piperidine-1-carboxylate?
The IUPAC name of 2,2,2-trifluoroethyl 4-[(5-methoxycarbonylthiophen-2-yl)carbamoyl]piperidine-1-carboxylate (CID 24587007) is 2,2,2-trifluoroethyl 4-[(5-methoxycarbonylthiophen-2-yl)carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for 2,2,2-trifluoroethyl 4-[(5-methoxycarbonylthiophen-2-yl)carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for 2,2,2-trifluoroethyl 4-[(5-methoxycarbonylthiophen-2-yl)carbamoyl]piperidine-1-carboxylate is COC(=O)c1ccc(NC(=O)C2CCN(C(=O)OCC(F)(F)F)CC2)s1.
What is the InChIKey of 2,2,2-trifluoroethyl 4-[(5-methoxycarbonylthiophen-2-yl)carbamoyl]piperidine-1-carboxylate?
The InChIKey is VDSQLGZINKMMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O5S/c1-24-13(22)10-2-3-11(26-10)19-12(21)9-4-6-20(7-5-9)14(23)25-8-15(16,17)18/h2-3,9H,4-8H2,1H3,(H,19,21).
What are the key properties of 2,2,2-trifluoroethyl 4-[(5-methoxycarbonylthiophen-2-yl)carbamoyl]piperidine-1-carboxylate?
2,2,2-trifluoroethyl 4-[(5-methoxycarbonylthiophen-2-yl)carbamoyl]piperidine-1-carboxylate has a molecular weight of 394.37 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl 4-[(5-methoxycarbonylthiophen-2-yl)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 24587007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).