oxan-4-yl-[(3S)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]methanone

C19H22F3NO3 — CID 42565887

IUPACoxan-4-yl-[(3S)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)[C@H]1CCCN(C(=O)C2CCOCC2)C1
InChIInChI=1S/C19H22F3NO3/c20-19(21,22)16-5-1-3-14(11-16)17(24)15-4-2-8-23(12-15)18(25)13-6-9-26-10-7-13/h1,3,5,11,13,15H,2,4,6-10,12H2/t15-/m0/s1
InChIKeyIAGPPNWRMQKGBK-HNNXBMFYSA-N
MW369.38 g/mol
LogP3.55
Rot. Bonds3

About oxan-4-yl-[(3S)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]methanone

oxan-4-yl-[(3S)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]methanone (PubChem CID 42565887) has the molecular formula C19H22F3NO3 and a molecular weight of 369.38 g/mol. Its IUPAC name is oxan-4-yl-[(3S)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Nameoxan-4-yl-[(3S)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]methanone
PubChem CID42565887
Molecular FormulaC19H22F3NO3
Molecular Weight369.38 g/mol
Exact Mass369.16
IUPAC Nameoxan-4-yl-[(3S)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)[C@H]1CCCN(C(=O)C2CCOCC2)C1
InChIInChI=1S/C19H22F3NO3/c20-19(21,22)16-5-1-3-14(11-16)17(24)15-4-2-8-23(12-15)18(25)13-6-9-26-10-7-13/h1,3,5,11,13,15H,2,4,6-10,12H2/t15-/m0/s1
InChIKeyIAGPPNWRMQKGBK-HNNXBMFYSA-N
XLogP3.55
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-1-(furan-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 42392398
1-[(3S)-3-[3-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]cyclopropane-1-carboxamide
CID 95729637
[(3S)-1-cyclobutylpiperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 25456675
1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid
CID 43080840
[(3S)-1-(3-chlorothiophene-2-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 25308789
[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 29258112
[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 45206649
[1-(2-methylpyridine-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 45249229
methyl 5-oxo-5-[3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]pentanoate
CID 45240231
(E)-3-pyridin-2-yl-1-[3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]prop-2-en-1-one
CID 45185730
1-[4-[(3R)-3-[4-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 25308165
(1-propan-2-ylsulfonylpiperidin-3-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 45188055

Frequently Asked Questions

What is the IUPAC name of oxan-4-yl-[(3S)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]methanone?
The IUPAC name of oxan-4-yl-[(3S)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]methanone (CID 42565887) is oxan-4-yl-[(3S)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]methanone.
What is the SMILES notation for oxan-4-yl-[(3S)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]methanone?
The canonical SMILES for oxan-4-yl-[(3S)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]methanone is O=C(c1cccc(C(F)(F)F)c1)[C@H]1CCCN(C(=O)C2CCOCC2)C1.
What is the InChIKey of oxan-4-yl-[(3S)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]methanone?
The InChIKey is IAGPPNWRMQKGBK-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22F3NO3/c20-19(21,22)16-5-1-3-14(11-16)17(24)15-4-2-8-23(12-15)18(25)13-6-9-26-10-7-13/h1,3,5,11,13,15H,2,4,6-10,12H2/t15-/m0/s1.
What are the key properties of oxan-4-yl-[(3S)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]methanone?
oxan-4-yl-[(3S)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]methanone has a molecular weight of 369.38 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl-[(3S)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]methanone is sourced from PubChem (CID 42565887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).