N-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]thiophene-3-carboxamide

C15H21F3N2O2S — CID 47549420

IUPACN-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]thiophene-3-carboxamide
SMILESO=C(NC1CCN(CCCOCC(F)(F)F)CC1)c1ccsc1
InChIInChI=1S/C15H21F3N2O2S/c16-15(17,18)11-22-8-1-5-20-6-2-13(3-7-20)19-14(21)12-4-9-23-10-12/h4,9-10,13H,1-3,5-8,11H2,(H,19,21)
InChIKeyWEKMYMPYFIXDCM-UHFFFAOYSA-N
MW350.41 g/mol
LogP2.91
Rot. Bonds7

About N-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]thiophene-3-carboxamide

N-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]thiophene-3-carboxamide (PubChem CID 47549420) has the molecular formula C15H21F3N2O2S and a molecular weight of 350.41 g/mol. Its IUPAC name is N-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]thiophene-3-carboxamide
PubChem CID47549420
Molecular FormulaC15H21F3N2O2S
Molecular Weight350.41 g/mol
Exact Mass350.13
IUPAC NameN-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]thiophene-3-carboxamide
SMILESO=C(NC1CCN(CCCOCC(F)(F)F)CC1)c1ccsc1
InChIInChI=1S/C15H21F3N2O2S/c16-15(17,18)11-22-8-1-5-20-6-2-13(3-7-20)19-14(21)12-4-9-23-10-12/h4,9-10,13H,1-3,5-8,11H2,(H,19,21)
InChIKeyWEKMYMPYFIXDCM-UHFFFAOYSA-N
XLogP2.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]thiophene-3-carboxamide?
The IUPAC name of N-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]thiophene-3-carboxamide (CID 47549420) is N-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]thiophene-3-carboxamide is O=C(NC1CCN(CCCOCC(F)(F)F)CC1)c1ccsc1.
What is the InChIKey of N-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]thiophene-3-carboxamide?
The InChIKey is WEKMYMPYFIXDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O2S/c16-15(17,18)11-22-8-1-5-20-6-2-13(3-7-20)19-14(21)12-4-9-23-10-12/h4,9-10,13H,1-3,5-8,11H2,(H,19,21).
What are the key properties of N-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]thiophene-3-carboxamide?
N-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]thiophene-3-carboxamide has a molecular weight of 350.41 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]thiophene-3-carboxamide is sourced from PubChem (CID 47549420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).