N-ethyl-4-methyl-2-oxo-6-piperidin-3-yl-N-(2,2,2-trifluoroethyl)pyran-3-carboxamide;hydrochloride

C16H22ClF3N2O3 — CID 171709211

IUPACN-ethyl-4-methyl-2-oxo-6-piperidin-3-yl-N-(2,2,2-trifluoroethyl)pyran-3-carboxamide;hydrochloride
SMILESCCN(CC(F)(F)F)C(=O)c1c(C)cc(C2CCCNC2)oc1=O.Cl
InChIInChI=1S/C16H21F3N2O3.ClH/c1-3-21(9-16(17,18)19)14(22)13-10(2)7-12(24-15(13)23)11-5-4-6-20-8-11;/h7,11,20H,3-6,8-9H2,1-2H3;1H
InChIKeyMKWFUINLNYMCRG-UHFFFAOYSA-N
MW382.81 g/mol
LogP2.86
Rot. Bonds4

About N-ethyl-4-methyl-2-oxo-6-piperidin-3-yl-N-(2,2,2-trifluoroethyl)pyran-3-carboxamide;hydrochloride

N-ethyl-4-methyl-2-oxo-6-piperidin-3-yl-N-(2,2,2-trifluoroethyl)pyran-3-carboxamide;hydrochloride (PubChem CID 171709211) has the molecular formula C16H22ClF3N2O3 and a molecular weight of 382.81 g/mol. Its IUPAC name is N-ethyl-4-methyl-2-oxo-6-piperidin-3-yl-N-(2,2,2-trifluoroethyl)pyran-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-ethyl-4-methyl-2-oxo-6-piperidin-3-yl-N-(2,2,2-trifluoroethyl)pyran-3-carboxamide;hydrochloride
PubChem CID171709211
Molecular FormulaC16H22ClF3N2O3
Molecular Weight382.81 g/mol
Exact Mass382.13
IUPAC NameN-ethyl-4-methyl-2-oxo-6-piperidin-3-yl-N-(2,2,2-trifluoroethyl)pyran-3-carboxamide;hydrochloride
SMILESCCN(CC(F)(F)F)C(=O)c1c(C)cc(C2CCCNC2)oc1=O.Cl
InChIInChI=1S/C16H21F3N2O3.ClH/c1-3-21(9-16(17,18)19)14(22)13-10(2)7-12(24-15(13)23)11-5-4-6-20-8-11;/h7,11,20H,3-6,8-9H2,1-2H3;1H
InChIKeyMKWFUINLNYMCRG-UHFFFAOYSA-N
XLogP2.86
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.81
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-2-oxo-6-piperidin-3-yl-N-(2,2,2-trifluoroethyl)pyran-3-carboxamide;hydrochloride?
The IUPAC name of N-ethyl-4-methyl-2-oxo-6-piperidin-3-yl-N-(2,2,2-trifluoroethyl)pyran-3-carboxamide;hydrochloride (CID 171709211) is N-ethyl-4-methyl-2-oxo-6-piperidin-3-yl-N-(2,2,2-trifluoroethyl)pyran-3-carboxamide;hydrochloride.
What is the SMILES notation for N-ethyl-4-methyl-2-oxo-6-piperidin-3-yl-N-(2,2,2-trifluoroethyl)pyran-3-carboxamide;hydrochloride?
The canonical SMILES for N-ethyl-4-methyl-2-oxo-6-piperidin-3-yl-N-(2,2,2-trifluoroethyl)pyran-3-carboxamide;hydrochloride is CCN(CC(F)(F)F)C(=O)c1c(C)cc(C2CCCNC2)oc1=O.Cl.
What is the InChIKey of N-ethyl-4-methyl-2-oxo-6-piperidin-3-yl-N-(2,2,2-trifluoroethyl)pyran-3-carboxamide;hydrochloride?
The InChIKey is MKWFUINLNYMCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O3.ClH/c1-3-21(9-16(17,18)19)14(22)13-10(2)7-12(24-15(13)23)11-5-4-6-20-8-11;/h7,11,20H,3-6,8-9H2,1-2H3;1H.
What are the key properties of N-ethyl-4-methyl-2-oxo-6-piperidin-3-yl-N-(2,2,2-trifluoroethyl)pyran-3-carboxamide;hydrochloride?
N-ethyl-4-methyl-2-oxo-6-piperidin-3-yl-N-(2,2,2-trifluoroethyl)pyran-3-carboxamide;hydrochloride has a molecular weight of 382.81 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-2-oxo-6-piperidin-3-yl-N-(2,2,2-trifluoroethyl)pyran-3-carboxamide;hydrochloride is sourced from PubChem (CID 171709211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).