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

C19H26F3N3O3 — CID 146330152

IUPACN-[2-[4-[6-(trifluoromethoxy)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-4-carboxamide
SMILESO=C(NCCN1CCC(c2cccc(OC(F)(F)F)n2)CC1)C1CCOCC1
InChIInChI=1S/C19H26F3N3O3/c20-19(21,22)28-17-3-1-2-16(24-17)14-4-9-25(10-5-14)11-8-23-18(26)15-6-12-27-13-7-15/h1-3,14-15H,4-13H2,(H,23,26)
InChIKeyCRIIWZWMEASXGQ-UHFFFAOYSA-N
MW401.43 g/mol
LogP2.70
Rot. Bonds6

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

N-[2-[4-[6-(trifluoromethoxy)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-4-carboxamide (PubChem CID 146330152) has the molecular formula C19H26F3N3O3 and a molecular weight of 401.43 g/mol. Its IUPAC name is N-[2-[4-[6-(trifluoromethoxy)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[6-(trifluoromethoxy)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-4-carboxamide
PubChem CID146330152
Molecular FormulaC19H26F3N3O3
Molecular Weight401.43 g/mol
Exact Mass401.19
IUPAC NameN-[2-[4-[6-(trifluoromethoxy)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-4-carboxamide
SMILESO=C(NCCN1CCC(c2cccc(OC(F)(F)F)n2)CC1)C1CCOCC1
InChIInChI=1S/C19H26F3N3O3/c20-19(21,22)28-17-3-1-2-16(24-17)14-4-9-25(10-5-14)11-8-23-18(26)15-6-12-27-13-7-15/h1-3,14-15H,4-13H2,(H,23,26)
InChIKeyCRIIWZWMEASXGQ-UHFFFAOYSA-N
XLogP2.70
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[6-(trifluoromethoxy)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-4-carboxamide?
The IUPAC name of N-[2-[4-[6-(trifluoromethoxy)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-4-carboxamide (CID 146330152) is N-[2-[4-[6-(trifluoromethoxy)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-4-carboxamide.
What is the SMILES notation for N-[2-[4-[6-(trifluoromethoxy)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-4-carboxamide?
The canonical SMILES for N-[2-[4-[6-(trifluoromethoxy)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-4-carboxamide is O=C(NCCN1CCC(c2cccc(OC(F)(F)F)n2)CC1)C1CCOCC1.
What is the InChIKey of N-[2-[4-[6-(trifluoromethoxy)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-4-carboxamide?
The InChIKey is CRIIWZWMEASXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N3O3/c20-19(21,22)28-17-3-1-2-16(24-17)14-4-9-25(10-5-14)11-8-23-18(26)15-6-12-27-13-7-15/h1-3,14-15H,4-13H2,(H,23,26).
What are the key properties of N-[2-[4-[6-(trifluoromethoxy)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-4-carboxamide?
N-[2-[4-[6-(trifluoromethoxy)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-4-carboxamide has a molecular weight of 401.43 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[6-(trifluoromethoxy)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-4-carboxamide is sourced from PubChem (CID 146330152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).