[2-(oxan-4-ylmethoxy)-4-pyridinyl]-[4-(trifluoromethyl)piperidin-1-yl]methanone

C18H23F3N2O3 — CID 121017408

IUPAC[2-(oxan-4-ylmethoxy)-4-pyridinyl]-[4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccnc(OCC2CCOCC2)c1)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C18H23F3N2O3/c19-18(20,21)15-2-7-23(8-3-15)17(24)14-1-6-22-16(11-14)26-12-13-4-9-25-10-5-13/h1,6,11,13,15H,2-5,7-10,12H2
InChIKeyZOMURXFHUVTOQW-UHFFFAOYSA-N
MW372.39 g/mol
LogP3.30
Rot. Bonds4

About [2-(oxan-4-ylmethoxy)-4-pyridinyl]-[4-(trifluoromethyl)piperidin-1-yl]methanone

[2-(oxan-4-ylmethoxy)-4-pyridinyl]-[4-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 121017408) has the molecular formula C18H23F3N2O3 and a molecular weight of 372.39 g/mol. Its IUPAC name is [2-(oxan-4-ylmethoxy)-4-pyridinyl]-[4-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(oxan-4-ylmethoxy)-4-pyridinyl]-[4-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID121017408
Molecular FormulaC18H23F3N2O3
Molecular Weight372.39 g/mol
Exact Mass372.17
IUPAC Name[2-(oxan-4-ylmethoxy)-4-pyridinyl]-[4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccnc(OCC2CCOCC2)c1)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C18H23F3N2O3/c19-18(20,21)15-2-7-23(8-3-15)17(24)14-1-6-22-16(11-14)26-12-13-4-9-25-10-5-13/h1,6,11,13,15H,2-5,7-10,12H2
InChIKeyZOMURXFHUVTOQW-UHFFFAOYSA-N
XLogP3.30
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(oxan-4-ylmethoxy)-4-pyridinyl]-[4-(trifluoromethyl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(trifluoromethyl)piperidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055905
[2-[(2R)-butan-2-yl]oxy-4-pyridinyl]-[4-(oxan-4-yl)piperidin-1-yl]methanone
CID 97338435
2-(oxan-4-ylmethoxy)-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 121017397
N-[2-(4-fluorophenoxy)ethyl]-2-(oxan-4-ylmethoxy)pyridine-4-carboxamide
CID 121017381
2-(oxan-4-ylmethoxy)pyridin-4-amine
CID 62381987
morpholin-4-yl-[4-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methoxy]phenyl]methanone
CID 53150425
(4-aminopiperidin-1-yl)-(2-methoxy-4-pyridinyl)methanone
CID 121200428
2-[2-cyclopropyl-6-(oxan-4-ylmethoxy)pyridine-4-carbonyl]-1,3-dihydroisoindole-5-carboxylic acid
CID 135331270
oxan-4-yl-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone
CID 126874696
methyl (2R)-1-[2-(cyclopropylmethoxy)pyridine-4-carbonyl]pyrrolidine-2-carboxylate
CID 124727916
tert-butyl (3S)-4-[2-(cyclopropylmethoxy)pyridine-4-carbonyl]-3-methylpiperazine-1-carboxylate
CID 124876680
1-[2-[2-cyclopropyl-6-(oxan-4-ylmethoxy)pyridine-4-carbonyl]-1,3-dihydroisoindole-5-carbonyl]piperidine-4-sulfinamide
CID 142427948

Frequently Asked Questions

What is the IUPAC name of [2-(oxan-4-ylmethoxy)-4-pyridinyl]-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of [2-(oxan-4-ylmethoxy)-4-pyridinyl]-[4-(trifluoromethyl)piperidin-1-yl]methanone (CID 121017408) is [2-(oxan-4-ylmethoxy)-4-pyridinyl]-[4-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(oxan-4-ylmethoxy)-4-pyridinyl]-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for [2-(oxan-4-ylmethoxy)-4-pyridinyl]-[4-(trifluoromethyl)piperidin-1-yl]methanone is O=C(c1ccnc(OCC2CCOCC2)c1)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of [2-(oxan-4-ylmethoxy)-4-pyridinyl]-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is ZOMURXFHUVTOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O3/c19-18(20,21)15-2-7-23(8-3-15)17(24)14-1-6-22-16(11-14)26-12-13-4-9-25-10-5-13/h1,6,11,13,15H,2-5,7-10,12H2.
What are the key properties of [2-(oxan-4-ylmethoxy)-4-pyridinyl]-[4-(trifluoromethyl)piperidin-1-yl]methanone?
[2-(oxan-4-ylmethoxy)-4-pyridinyl]-[4-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 372.39 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(oxan-4-ylmethoxy)-4-pyridinyl]-[4-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 121017408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).