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

C18H24F3N3O2 — CID 146330154

IUPACN-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]oxolane-3-carboxamide
SMILESO=C(NCCN1CCC(c2cccc(C(F)(F)F)n2)CC1)C1CCOC1
InChIInChI=1S/C18H24F3N3O2/c19-18(20,21)16-3-1-2-15(23-16)13-4-8-24(9-5-13)10-7-22-17(25)14-6-11-26-12-14/h1-3,13-14H,4-12H2,(H,22,25)
InChIKeyGGSIQDWKWRXJBY-UHFFFAOYSA-N
MW371.40 g/mol
LogP2.43
Rot. Bonds5

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

N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]oxolane-3-carboxamide (PubChem CID 146330154) has the molecular formula C18H24F3N3O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]oxolane-3-carboxamide
PubChem CID146330154
Molecular FormulaC18H24F3N3O2
Molecular Weight371.40 g/mol
Exact Mass371.18
IUPAC NameN-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]oxolane-3-carboxamide
SMILESO=C(NCCN1CCC(c2cccc(C(F)(F)F)n2)CC1)C1CCOC1
InChIInChI=1S/C18H24F3N3O2/c19-18(20,21)16-3-1-2-15(23-16)13-4-8-24(9-5-13)10-7-22-17(25)14-6-11-26-12-14/h1-3,13-14H,4-12H2,(H,22,25)
InChIKeyGGSIQDWKWRXJBY-UHFFFAOYSA-N
XLogP2.43
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]ethyl]oxane-3-carboxamide
CID 146329997
1-(2-methoxyethyl)-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]cyclopropane-1-carboxamide
CID 162369129
2,2-dimethyl-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]propan-1-amine
CID 151092475
N-[2-(4-phenylpiperazin-1-yl)ethyl]oxane-4-carboxamide
CID 51077897
(3S)-N-[2-(2-cyclopropylimidazol-1-yl)ethyl]oxolane-3-carboxamide
CID 100681126
N-[[4-fluoro-1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methyl]oxolane-3-carboxamide
CID 165432188
(3R)-N-[(3S)-3-[3-(trifluoromethyl)phenyl]butyl]oxolane-3-carboxamide
CID 96521769
N-(2-piperazin-1-ylethyl)oxane-3-carboxamide
CID 55109658
N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 126987345
N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]oxolane-3-carboxamide
CID 122280706
N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolane-3-carboxamide
CID 86850738
N-[2-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]oxolane-3-carboxamide
CID 45199672

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]oxolane-3-carboxamide?
The IUPAC name of N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]oxolane-3-carboxamide (CID 146330154) is N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]oxolane-3-carboxamide?
The canonical SMILES for N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]oxolane-3-carboxamide is O=C(NCCN1CCC(c2cccc(C(F)(F)F)n2)CC1)C1CCOC1.
What is the InChIKey of N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]oxolane-3-carboxamide?
The InChIKey is GGSIQDWKWRXJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O2/c19-18(20,21)16-3-1-2-15(23-16)13-4-8-24(9-5-13)10-7-22-17(25)14-6-11-26-12-14/h1-3,13-14H,4-12H2,(H,22,25).
What are the key properties of N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]oxolane-3-carboxamide?
N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]oxolane-3-carboxamide has a molecular weight of 371.40 g/mol, XLogP of 2.43, 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]oxolane-3-carboxamide is sourced from PubChem (CID 146330154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).