N-(1-piperidin-2-ylethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide

C18H22F6N2O3 — CID 21447146

IUPACN-(1-piperidin-2-ylethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide
SMILESCC(NC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F)C1CCCCN1
InChIInChI=1S/C18H22F6N2O3/c1-11(14-4-2-3-7-25-14)26-16(27)13-8-12(28-9-17(19,20)21)5-6-15(13)29-10-18(22,23)24/h5-6,8,11,14,25H,2-4,7,9-10H2,1H3,(H,26,27)
InChIKeyKESFQWJDLJCVLW-UHFFFAOYSA-N
MW428.37 g/mol
LogP3.83
Rot. Bonds7

About N-(1-piperidin-2-ylethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide

N-(1-piperidin-2-ylethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide (PubChem CID 21447146) has the molecular formula C18H22F6N2O3 and a molecular weight of 428.37 g/mol. Its IUPAC name is N-(1-piperidin-2-ylethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide.

Molecular Properties

Compound NameN-(1-piperidin-2-ylethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide
PubChem CID21447146
Molecular FormulaC18H22F6N2O3
Molecular Weight428.37 g/mol
Exact Mass428.15
IUPAC NameN-(1-piperidin-2-ylethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide
SMILESCC(NC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F)C1CCCCN1
InChIInChI=1S/C18H22F6N2O3/c1-11(14-4-2-3-7-25-14)26-16(27)13-8-12(28-9-17(19,20)21)5-6-15(13)29-10-18(22,23)24/h5-6,8,11,14,25H,2-4,7,9-10H2,1H3,(H,26,27)
InChIKeyKESFQWJDLJCVLW-UHFFFAOYSA-N
XLogP3.83
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.37
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-piperidin-2-ylethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide?
The IUPAC name of N-(1-piperidin-2-ylethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide (CID 21447146) is N-(1-piperidin-2-ylethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide.
What is the SMILES notation for N-(1-piperidin-2-ylethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide?
The canonical SMILES for N-(1-piperidin-2-ylethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide is CC(NC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F)C1CCCCN1.
What is the InChIKey of N-(1-piperidin-2-ylethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide?
The InChIKey is KESFQWJDLJCVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F6N2O3/c1-11(14-4-2-3-7-25-14)26-16(27)13-8-12(28-9-17(19,20)21)5-6-15(13)29-10-18(22,23)24/h5-6,8,11,14,25H,2-4,7,9-10H2,1H3,(H,26,27).
What are the key properties of N-(1-piperidin-2-ylethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide?
N-(1-piperidin-2-ylethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide has a molecular weight of 428.37 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-piperidin-2-ylethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide is sourced from PubChem (CID 21447146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).