N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide

C17H19F3N2O3 — CID 25332065

IUPACN-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)C1=COCCO1
InChIInChI=1S/C17H19F3N2O3/c18-17(19,20)12-4-5-14(22-6-2-1-3-7-22)13(10-12)21-16(23)15-11-24-8-9-25-15/h4-5,10-11H,1-3,6-9H2,(H,21,23)
InChIKeyXCLUOMKGJAQCAB-UHFFFAOYSA-N
MW356.34 g/mol
LogP3.52
Rot. Bonds3

About N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide

N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 25332065) has the molecular formula C17H19F3N2O3 and a molecular weight of 356.34 g/mol. Its IUPAC name is N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID25332065
Molecular FormulaC17H19F3N2O3
Molecular Weight356.34 g/mol
Exact Mass356.13
IUPAC NameN-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)C1=COCCO1
InChIInChI=1S/C17H19F3N2O3/c18-17(19,20)12-4-5-14(22-6-2-1-3-7-22)13(10-12)21-16(23)15-11-24-8-9-25-15/h4-5,10-11H,1-3,6-9H2,(H,21,23)
InChIKeyXCLUOMKGJAQCAB-UHFFFAOYSA-N
XLogP3.52
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 25332065) is N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)C1=COCCO1.
What is the InChIKey of N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is XCLUOMKGJAQCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O3/c18-17(19,20)12-4-5-14(22-6-2-1-3-7-22)13(10-12)21-16(23)15-11-24-8-9-25-15/h4-5,10-11H,1-3,6-9H2,(H,21,23).
What are the key properties of N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 356.34 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 25332065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).