N-(oxan-4-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxamide

C17H22F3N3O2 — CID 171992729

IUPACN-(oxan-4-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxamide
SMILESO=C(NC1CCOCC1)C1CCN(c2ccc(C(F)(F)F)nc2)CC1
InChIInChI=1S/C17H22F3N3O2/c18-17(19,20)15-2-1-14(11-21-15)23-7-3-12(4-8-23)16(24)22-13-5-9-25-10-6-13/h1-2,11-13H,3-10H2,(H,22,24)
InChIKeyWQZYXDMVRLKACY-UHFFFAOYSA-N
MW357.38 g/mol
LogP2.61
Rot. Bonds3

About N-(oxan-4-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxamide

N-(oxan-4-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxamide (PubChem CID 171992729) has the molecular formula C17H22F3N3O2 and a molecular weight of 357.38 g/mol. Its IUPAC name is N-(oxan-4-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxamide
PubChem CID171992729
Molecular FormulaC17H22F3N3O2
Molecular Weight357.38 g/mol
Exact Mass357.17
IUPAC NameN-(oxan-4-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxamide
SMILESO=C(NC1CCOCC1)C1CCN(c2ccc(C(F)(F)F)nc2)CC1
InChIInChI=1S/C17H22F3N3O2/c18-17(19,20)15-2-1-14(11-21-15)23-7-3-12(4-8-23)16(24)22-13-5-9-25-10-6-13/h1-2,11-13H,3-10H2,(H,22,24)
InChIKeyWQZYXDMVRLKACY-UHFFFAOYSA-N
XLogP2.61
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of N-(oxan-4-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxamide (CID 171992729) is N-(oxan-4-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(oxan-4-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for N-(oxan-4-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxamide is O=C(NC1CCOCC1)C1CCN(c2ccc(C(F)(F)F)nc2)CC1.
What is the InChIKey of N-(oxan-4-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxamide?
The InChIKey is WQZYXDMVRLKACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N3O2/c18-17(19,20)15-2-1-14(11-21-15)23-7-3-12(4-8-23)16(24)22-13-5-9-25-10-6-13/h1-2,11-13H,3-10H2,(H,22,24).
What are the key properties of N-(oxan-4-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxamide?
N-(oxan-4-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxamide has a molecular weight of 357.38 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 171992729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).