N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-3-carboxamide

C19H26F3N3O2 — CID 155922394

IUPACN-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-3-carboxamide
SMILESO=C(NCCN1CCC(c2cccc(C(F)(F)F)n2)CC1)C1CCCOC1
InChIInChI=1S/C19H26F3N3O2/c20-19(21,22)17-5-1-4-16(24-17)14-6-9-25(10-7-14)11-8-23-18(26)15-3-2-12-27-13-15/h1,4-5,14-15H,2-3,6-13H2,(H,23,26)
InChIKeyIVMHGKYNLVHHQR-UHFFFAOYSA-N
MW385.43 g/mol
LogP2.82
Rot. Bonds5

About N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-3-carboxamide

N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-3-carboxamide (PubChem CID 155922394) has the molecular formula C19H26F3N3O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-3-carboxamide
PubChem CID155922394
Molecular FormulaC19H26F3N3O2
Molecular Weight385.43 g/mol
Exact Mass385.20
IUPAC NameN-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-3-carboxamide
SMILESO=C(NCCN1CCC(c2cccc(C(F)(F)F)n2)CC1)C1CCCOC1
InChIInChI=1S/C19H26F3N3O2/c20-19(21,22)17-5-1-4-16(24-17)14-6-9-25(10-7-14)11-8-23-18(26)15-3-2-12-27-13-15/h1,4-5,14-15H,2-3,6-13H2,(H,23,26)
InChIKeyIVMHGKYNLVHHQR-UHFFFAOYSA-N
XLogP2.82
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-3-carboxamide?
The IUPAC name of N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-3-carboxamide (CID 155922394) is N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-3-carboxamide.
What is the SMILES notation for N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-3-carboxamide?
The canonical SMILES for N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-3-carboxamide is O=C(NCCN1CCC(c2cccc(C(F)(F)F)n2)CC1)C1CCCOC1.
What is the InChIKey of N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-3-carboxamide?
The InChIKey is IVMHGKYNLVHHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N3O2/c20-19(21,22)17-5-1-4-16(24-17)14-6-9-25(10-7-14)11-8-23-18(26)15-3-2-12-27-13-15/h1,4-5,14-15H,2-3,6-13H2,(H,23,26).
What are the key properties of N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-3-carboxamide?
N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-3-carboxamide has a molecular weight of 385.43 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-3-carboxamide is sourced from PubChem (CID 155922394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).