methyl 5-oxo-5-[3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]pentanoate

C19H22F3NO4 — CID 45240231

IUPACmethyl 5-oxo-5-[3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]pentanoate
SMILESCOC(=O)CCCC(=O)N1CCCC(C(=O)c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C19H22F3NO4/c1-27-17(25)9-3-8-16(24)23-10-4-6-14(12-23)18(26)13-5-2-7-15(11-13)19(20,21)22/h2,5,7,11,14H,3-4,6,8-10,12H2,1H3
InChIKeyVPQQAWXDKCTUKY-UHFFFAOYSA-N
MW385.38 g/mol
LogP3.47
Rot. Bonds6

About methyl 5-oxo-5-[3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]pentanoate

methyl 5-oxo-5-[3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]pentanoate (PubChem CID 45240231) has the molecular formula C19H22F3NO4 and a molecular weight of 385.38 g/mol. Its IUPAC name is methyl 5-oxo-5-[3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]pentanoate.

Molecular Properties

Compound Namemethyl 5-oxo-5-[3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]pentanoate
PubChem CID45240231
Molecular FormulaC19H22F3NO4
Molecular Weight385.38 g/mol
Exact Mass385.15
IUPAC Namemethyl 5-oxo-5-[3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]pentanoate
SMILESCOC(=O)CCCC(=O)N1CCCC(C(=O)c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C19H22F3NO4/c1-27-17(25)9-3-8-16(24)23-10-4-6-14(12-23)18(26)13-5-2-7-15(11-13)19(20,21)22/h2,5,7,11,14H,3-4,6,8-10,12H2,1H3
InChIKeyVPQQAWXDKCTUKY-UHFFFAOYSA-N
XLogP3.47
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methoxyphenyl)-1-[3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one
CID 45171215
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
oxan-4-yl-[(3S)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]methanone
CID 42565887
[1-(2-methylpyridine-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 45249229
[(3S)-1-(furan-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 42392398
methyl 5-[(3R)-3-(4-methoxy-2-methylbenzoyl)piperidin-1-yl]-5-oxopentanoate
CID 42245196
[(3S)-1-cyclobutylpiperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 25456675
1-[(3S)-3-[3-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]cyclopropane-1-carboxamide
CID 95729637
[(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
[(3S)-1-(3-chlorothiophene-2-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 25308789

Frequently Asked Questions

What is the IUPAC name of methyl 5-oxo-5-[3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]pentanoate?
The IUPAC name of methyl 5-oxo-5-[3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]pentanoate (CID 45240231) is methyl 5-oxo-5-[3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]pentanoate.
What is the SMILES notation for methyl 5-oxo-5-[3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]pentanoate?
The canonical SMILES for methyl 5-oxo-5-[3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]pentanoate is COC(=O)CCCC(=O)N1CCCC(C(=O)c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of methyl 5-oxo-5-[3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]pentanoate?
The InChIKey is VPQQAWXDKCTUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3NO4/c1-27-17(25)9-3-8-16(24)23-10-4-6-14(12-23)18(26)13-5-2-7-15(11-13)19(20,21)22/h2,5,7,11,14H,3-4,6,8-10,12H2,1H3.
What are the key properties of methyl 5-oxo-5-[3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]pentanoate?
methyl 5-oxo-5-[3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]pentanoate has a molecular weight of 385.38 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-oxo-5-[3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]pentanoate is sourced from PubChem (CID 45240231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).