N-ethyl-1-(1,3-thiazolidine-4-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;hydrochloride

C14H23ClF3N3O2S — CID 119336893

IUPACN-ethyl-1-(1,3-thiazolidine-4-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;hydrochloride
SMILESCCN(CC(F)(F)F)C(=O)C1CCCN(C(=O)C2CSCN2)C1.Cl
InChIInChI=1S/C14H22F3N3O2S.ClH/c1-2-19(8-14(15,16)17)12(21)10-4-3-5-20(6-10)13(22)11-7-23-9-18-11;/h10-11,18H,2-9H2,1H3;1H
InChIKeyDKEUWXUTPOLBPU-UHFFFAOYSA-N
MW389.87 g/mol
LogP1.72
Rot. Bonds4

About N-ethyl-1-(1,3-thiazolidine-4-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;hydrochloride

N-ethyl-1-(1,3-thiazolidine-4-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;hydrochloride (PubChem CID 119336893) has the molecular formula C14H23ClF3N3O2S and a molecular weight of 389.87 g/mol. Its IUPAC name is N-ethyl-1-(1,3-thiazolidine-4-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-ethyl-1-(1,3-thiazolidine-4-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;hydrochloride
PubChem CID119336893
Molecular FormulaC14H23ClF3N3O2S
Molecular Weight389.87 g/mol
Exact Mass389.12
IUPAC NameN-ethyl-1-(1,3-thiazolidine-4-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;hydrochloride
SMILESCCN(CC(F)(F)F)C(=O)C1CCCN(C(=O)C2CSCN2)C1.Cl
InChIInChI=1S/C14H22F3N3O2S.ClH/c1-2-19(8-14(15,16)17)12(21)10-4-3-5-20(6-10)13(22)11-7-23-9-18-11;/h10-11,18H,2-9H2,1H3;1H
InChIKeyDKEUWXUTPOLBPU-UHFFFAOYSA-N
XLogP1.72
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.87
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1,3-thiazolidine-4-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-ethyl-1-(1,3-thiazolidine-4-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;hydrochloride (CID 119336893) is N-ethyl-1-(1,3-thiazolidine-4-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-ethyl-1-(1,3-thiazolidine-4-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-ethyl-1-(1,3-thiazolidine-4-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;hydrochloride is CCN(CC(F)(F)F)C(=O)C1CCCN(C(=O)C2CSCN2)C1.Cl.
What is the InChIKey of N-ethyl-1-(1,3-thiazolidine-4-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is DKEUWXUTPOLBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3O2S.ClH/c1-2-19(8-14(15,16)17)12(21)10-4-3-5-20(6-10)13(22)11-7-23-9-18-11;/h10-11,18H,2-9H2,1H3;1H.
What are the key properties of N-ethyl-1-(1,3-thiazolidine-4-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;hydrochloride?
N-ethyl-1-(1,3-thiazolidine-4-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 389.87 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1,3-thiazolidine-4-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119336893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).