N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

C14H18F3N3O2S — CID 110716020

IUPACN-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESCN(CCc1nccs1)C(=O)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C14H18F3N3O2S/c1-19(6-4-11-18-5-9-23-11)12(21)10-2-7-20(8-3-10)13(22)14(15,16)17/h5,9-10H,2-4,6-8H2,1H3
InChIKeyXFKCHUPCUPKYEC-UHFFFAOYSA-N
MW349.38 g/mol
LogP1.94
Rot. Bonds4

About N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (PubChem CID 110716020) has the molecular formula C14H18F3N3O2S and a molecular weight of 349.38 g/mol. Its IUPAC name is N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
PubChem CID110716020
Molecular FormulaC14H18F3N3O2S
Molecular Weight349.38 g/mol
Exact Mass349.11
IUPAC NameN-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESCN(CCc1nccs1)C(=O)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C14H18F3N3O2S/c1-19(6-4-11-18-5-9-23-11)12(21)10-2-7-20(8-3-10)13(22)14(15,16)17/h5,9-10H,2-4,6-8H2,1H3
InChIKeyXFKCHUPCUPKYEC-UHFFFAOYSA-N
XLogP1.94
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The IUPAC name of N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (CID 110716020) is N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is CN(CCc1nccs1)C(=O)C1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The InChIKey is XFKCHUPCUPKYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O2S/c1-19(6-4-11-18-5-9-23-11)12(21)10-2-7-20(8-3-10)13(22)14(15,16)17/h5,9-10H,2-4,6-8H2,1H3.
What are the key properties of N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide has a molecular weight of 349.38 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 110716020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).