N-(2-oxopiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide

C18H21F3N2O3 — CID 49389217

IUPACN-(2-oxopiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide
SMILESO=C1NCCCC1NC(=O)C1(c2cccc(C(F)(F)F)c2)CCOCC1
InChIInChI=1S/C18H21F3N2O3/c19-18(20,21)13-4-1-3-12(11-13)17(6-9-26-10-7-17)16(25)23-14-5-2-8-22-15(14)24/h1,3-4,11,14H,2,5-10H2,(H,22,24)(H,23,25)
InChIKeyZAYOQYOKVFNWOZ-UHFFFAOYSA-N
MW370.37 g/mol
LogP2.15
Rot. Bonds3

About N-(2-oxopiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide

N-(2-oxopiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide (PubChem CID 49389217) has the molecular formula C18H21F3N2O3 and a molecular weight of 370.37 g/mol. Its IUPAC name is N-(2-oxopiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-(2-oxopiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide
PubChem CID49389217
Molecular FormulaC18H21F3N2O3
Molecular Weight370.37 g/mol
Exact Mass370.15
IUPAC NameN-(2-oxopiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide
SMILESO=C1NCCCC1NC(=O)C1(c2cccc(C(F)(F)F)c2)CCOCC1
InChIInChI=1S/C18H21F3N2O3/c19-18(20,21)13-4-1-3-12(11-13)17(6-9-26-10-7-17)16(25)23-14-5-2-8-22-15(14)24/h1,3-4,11,14H,2,5-10H2,(H,22,24)(H,23,25)
InChIKeyZAYOQYOKVFNWOZ-UHFFFAOYSA-N
XLogP2.15
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxopiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide?
The IUPAC name of N-(2-oxopiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide (CID 49389217) is N-(2-oxopiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide.
What is the SMILES notation for N-(2-oxopiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide?
The canonical SMILES for N-(2-oxopiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide is O=C1NCCCC1NC(=O)C1(c2cccc(C(F)(F)F)c2)CCOCC1.
What is the InChIKey of N-(2-oxopiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide?
The InChIKey is ZAYOQYOKVFNWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2O3/c19-18(20,21)13-4-1-3-12(11-13)17(6-9-26-10-7-17)16(25)23-14-5-2-8-22-15(14)24/h1,3-4,11,14H,2,5-10H2,(H,22,24)(H,23,25).
What are the key properties of N-(2-oxopiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide?
N-(2-oxopiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide has a molecular weight of 370.37 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxopiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide is sourced from PubChem (CID 49389217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).