[(3S)-3-methoxypiperidin-1-yl]-[3-[3-(trifluoromethyl)phenyl]phenyl]methanone

C20H20F3NO2 — CID 125165088

IUPAC[(3S)-3-methoxypiperidin-1-yl]-[3-[3-(trifluoromethyl)phenyl]phenyl]methanone
SMILESCO[C@H]1CCCN(C(=O)c2cccc(-c3cccc(C(F)(F)F)c3)c2)C1
InChIInChI=1S/C20H20F3NO2/c1-26-18-9-4-10-24(13-18)19(25)16-7-2-5-14(11-16)15-6-3-8-17(12-15)20(21,22)23/h2-3,5-8,11-12,18H,4,9-10,13H2,1H3/t18-/m0/s1
InChIKeyDZVOKGNPCXKDOU-SFHVURJKSA-N
MW363.38 g/mol
LogP4.62
Rot. Bonds3

About [(3S)-3-methoxypiperidin-1-yl]-[3-[3-(trifluoromethyl)phenyl]phenyl]methanone

[(3S)-3-methoxypiperidin-1-yl]-[3-[3-(trifluoromethyl)phenyl]phenyl]methanone (PubChem CID 125165088) has the molecular formula C20H20F3NO2 and a molecular weight of 363.38 g/mol. Its IUPAC name is [(3S)-3-methoxypiperidin-1-yl]-[3-[3-(trifluoromethyl)phenyl]phenyl]methanone.

Molecular Properties

Compound Name[(3S)-3-methoxypiperidin-1-yl]-[3-[3-(trifluoromethyl)phenyl]phenyl]methanone
PubChem CID125165088
Molecular FormulaC20H20F3NO2
Molecular Weight363.38 g/mol
Exact Mass363.14
IUPAC Name[(3S)-3-methoxypiperidin-1-yl]-[3-[3-(trifluoromethyl)phenyl]phenyl]methanone
SMILESCO[C@H]1CCCN(C(=O)c2cccc(-c3cccc(C(F)(F)F)c3)c2)C1
InChIInChI=1S/C20H20F3NO2/c1-26-18-9-4-10-24(13-18)19(25)16-7-2-5-14(11-16)15-6-3-8-17(12-15)20(21,22)23/h2-3,5-8,11-12,18H,4,9-10,13H2,1H3/t18-/m0/s1
InChIKeyDZVOKGNPCXKDOU-SFHVURJKSA-N
XLogP4.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 78783825
(3-methoxypiperidin-1-yl)-(3-methylphenyl)methanone
CID 122545527
[(3R)-3-methoxypiperidin-1-yl]-[3-[4-(5-methylpyrimidin-2-yl)phenyl]phenyl]methanone
CID 126440210
1-[4-fluoro-2-[3-[(3S)-3-methoxypiperidine-1-carbonyl]phenyl]phenyl]ethanone
CID 126438840
1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid
CID 43080840
[(3R)-3-methoxypiperidin-1-yl]-[(1R,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 97212252
methyl N-[3-(3-methoxypiperidine-1-carbonyl)phenyl]carbamate
CID 75369442
ethyl 1-[2-[3-(trifluoromethyl)phenyl]quinoline-6-carbonyl]piperidine-3-carboxylate
CID 58874811
[3-(dimethylamino)phenyl]-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 124966949
3-[3-(3-methoxypiperidine-1-carbonyl)phenyl]chromen-2-one
CID 171389799
(3R)-1-[3-(trifluoromethyl)benzoyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 94082199
quinolin-6-yl-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 129453468

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-methoxypiperidin-1-yl]-[3-[3-(trifluoromethyl)phenyl]phenyl]methanone?
The IUPAC name of [(3S)-3-methoxypiperidin-1-yl]-[3-[3-(trifluoromethyl)phenyl]phenyl]methanone (CID 125165088) is [(3S)-3-methoxypiperidin-1-yl]-[3-[3-(trifluoromethyl)phenyl]phenyl]methanone.
What is the SMILES notation for [(3S)-3-methoxypiperidin-1-yl]-[3-[3-(trifluoromethyl)phenyl]phenyl]methanone?
The canonical SMILES for [(3S)-3-methoxypiperidin-1-yl]-[3-[3-(trifluoromethyl)phenyl]phenyl]methanone is CO[C@H]1CCCN(C(=O)c2cccc(-c3cccc(C(F)(F)F)c3)c2)C1.
What is the InChIKey of [(3S)-3-methoxypiperidin-1-yl]-[3-[3-(trifluoromethyl)phenyl]phenyl]methanone?
The InChIKey is DZVOKGNPCXKDOU-SFHVURJKSA-N. The full InChI is InChI=1S/C20H20F3NO2/c1-26-18-9-4-10-24(13-18)19(25)16-7-2-5-14(11-16)15-6-3-8-17(12-15)20(21,22)23/h2-3,5-8,11-12,18H,4,9-10,13H2,1H3/t18-/m0/s1.
What are the key properties of [(3S)-3-methoxypiperidin-1-yl]-[3-[3-(trifluoromethyl)phenyl]phenyl]methanone?
[(3S)-3-methoxypiperidin-1-yl]-[3-[3-(trifluoromethyl)phenyl]phenyl]methanone has a molecular weight of 363.38 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-methoxypiperidin-1-yl]-[3-[3-(trifluoromethyl)phenyl]phenyl]methanone is sourced from PubChem (CID 125165088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).