3-(2-methoxyphenyl)-1-[3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one

C23H24F3NO3 — CID 45171215

IUPAC3-(2-methoxyphenyl)-1-[3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one
SMILESCOc1ccccc1CCC(=O)N1CCCC(C(=O)c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C23H24F3NO3/c1-30-20-10-3-2-6-16(20)11-12-21(28)27-13-5-8-18(15-27)22(29)17-7-4-9-19(14-17)23(24,25)26/h2-4,6-7,9-10,14,18H,5,8,11-13,15H2,1H3
InChIKeyMXUIWTFMLDUWHN-UHFFFAOYSA-N
MW419.44 g/mol
LogP4.77
Rot. Bonds6

About 3-(2-methoxyphenyl)-1-[3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one

3-(2-methoxyphenyl)-1-[3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one (PubChem CID 45171215) has the molecular formula C23H24F3NO3 and a molecular weight of 419.44 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-1-[3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-1-[3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one
PubChem CID45171215
Molecular FormulaC23H24F3NO3
Molecular Weight419.44 g/mol
Exact Mass419.17
IUPAC Name3-(2-methoxyphenyl)-1-[3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one
SMILESCOc1ccccc1CCC(=O)N1CCCC(C(=O)c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C23H24F3NO3/c1-30-20-10-3-2-6-16(20)11-12-21(28)27-13-5-8-18(15-27)22(29)17-7-4-9-19(14-17)23(24,25)26/h2-4,6-7,9-10,14,18H,5,8,11-13,15H2,1H3
InChIKeyMXUIWTFMLDUWHN-UHFFFAOYSA-N
XLogP4.77
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-oxo-5-[3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]pentanoate
CID 45240231
1-[(3R)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 26331996
(3R)-N-(2,4-dimethoxyphenyl)-3-[3-(trifluoromethyl)benzoyl]piperidine-1-carboxamide
CID 25297991
(3S)-1-[2-[2-methoxy-5-(trifluoromethyl)phenyl]acetyl]piperidine-3-carboxamide
CID 172675159
3-(2-methoxyphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119488395
oxan-4-yl-[(3S)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]methanone
CID 42565887
3-cyclohexyl-1-[(3R)-3-(3,4-dimethoxybenzoyl)piperidin-1-yl]propan-1-one
CID 42346806
[(3S)-1-(furan-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 42392398
ethyl (3R)-1-[3-(2,3-dimethoxyphenyl)propanoyl]piperidine-3-carboxylate
CID 94014719
[(3S)-1-cyclobutylpiperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 25456675
1-[(3R)-3-(3-fluoro-4-methoxybenzoyl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 26396616
1-[(3S)-3-(3-fluoro-4-methoxybenzoyl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 26396619

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-1-[3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(2-methoxyphenyl)-1-[3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one (CID 45171215) is 3-(2-methoxyphenyl)-1-[3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2-methoxyphenyl)-1-[3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(2-methoxyphenyl)-1-[3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one is COc1ccccc1CCC(=O)N1CCCC(C(=O)c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 3-(2-methoxyphenyl)-1-[3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one?
The InChIKey is MXUIWTFMLDUWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3NO3/c1-30-20-10-3-2-6-16(20)11-12-21(28)27-13-5-8-18(15-27)22(29)17-7-4-9-19(14-17)23(24,25)26/h2-4,6-7,9-10,14,18H,5,8,11-13,15H2,1H3.
What are the key properties of 3-(2-methoxyphenyl)-1-[3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one?
3-(2-methoxyphenyl)-1-[3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one has a molecular weight of 419.44 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-1-[3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 45171215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).