N-(2-thiophen-2-ylethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide

C18H20F3N3OS — CID 17476254

IUPACN-(2-thiophen-2-ylethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
SMILESO=C(NCCc1cccs1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C18H20F3N3OS/c19-18(20,21)14-3-4-16(23-12-14)24-9-6-13(7-10-24)17(25)22-8-5-15-2-1-11-26-15/h1-4,11-13H,5-10H2,(H,22,25)
InChIKeyMPXHLILNRCLCBE-UHFFFAOYSA-N
MW383.44 g/mol
LogP3.74
Rot. Bonds5

About N-(2-thiophen-2-ylethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide

N-(2-thiophen-2-ylethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 17476254) has the molecular formula C18H20F3N3OS and a molecular weight of 383.44 g/mol. Its IUPAC name is N-(2-thiophen-2-ylethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-thiophen-2-ylethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
PubChem CID17476254
Molecular FormulaC18H20F3N3OS
Molecular Weight383.44 g/mol
Exact Mass383.13
IUPAC NameN-(2-thiophen-2-ylethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
SMILESO=C(NCCc1cccs1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C18H20F3N3OS/c19-18(20,21)14-3-4-16(23-12-14)24-9-6-13(7-10-24)17(25)22-8-5-15-2-1-11-26-15/h1-4,11-13H,5-10H2,(H,22,25)
InChIKeyMPXHLILNRCLCBE-UHFFFAOYSA-N
XLogP3.74
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-thiophen-2-ylethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of N-(2-thiophen-2-ylethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide (CID 17476254) is N-(2-thiophen-2-ylethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2-thiophen-2-ylethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for N-(2-thiophen-2-ylethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide is O=C(NCCc1cccs1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of N-(2-thiophen-2-ylethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The InChIKey is MPXHLILNRCLCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3OS/c19-18(20,21)14-3-4-16(23-12-14)24-9-6-13(7-10-24)17(25)22-8-5-15-2-1-11-26-15/h1-4,11-13H,5-10H2,(H,22,25).
What are the key properties of N-(2-thiophen-2-ylethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
N-(2-thiophen-2-ylethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 383.44 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiophen-2-ylethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 17476254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).