1-[4-[(3R)-3-[4-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone

C21H25F3N2O3 — CID 25308165

IUPAC1-[4-[(3R)-3-[4-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2CCC[C@@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)CC1
InChIInChI=1S/C21H25F3N2O3/c1-14(27)25-11-8-16(9-12-25)20(29)26-10-2-3-17(13-26)19(28)15-4-6-18(7-5-15)21(22,23)24/h4-7,16-17H,2-3,8-13H2,1H3/t17-/m1/s1
InChIKeyRQTWFCHQTRYNHM-QGZVFWFLSA-N
MW410.44 g/mol
LogP3.39
Rot. Bonds3

About 1-[4-[(3R)-3-[4-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone

1-[4-[(3R)-3-[4-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone (PubChem CID 25308165) has the molecular formula C21H25F3N2O3 and a molecular weight of 410.44 g/mol. Its IUPAC name is 1-[4-[(3R)-3-[4-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(3R)-3-[4-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
PubChem CID25308165
Molecular FormulaC21H25F3N2O3
Molecular Weight410.44 g/mol
Exact Mass410.18
IUPAC Name1-[4-[(3R)-3-[4-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2CCC[C@@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)CC1
InChIInChI=1S/C21H25F3N2O3/c1-14(27)25-11-8-16(9-12-25)20(29)26-10-2-3-17(13-26)19(28)15-4-6-18(7-5-15)21(22,23)24/h4-7,16-17H,2-3,8-13H2,1H3/t17-/m1/s1
InChIKeyRQTWFCHQTRYNHM-QGZVFWFLSA-N
XLogP3.39
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-[(3R)-3-[4-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

2-amino-2-methyl-1-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one
CID 72850239
azepan-1-yl-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
CID 55408385
cyclohexyl-[(3S)-3-(4-fluorobenzoyl)piperidin-1-yl]methanone
CID 69455656
[3-(methylamino)piperidin-1-yl]-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone;hydrochloride
CID 119491917
N-(2,6-dimethylphenyl)-3-[4-(trifluoromethyl)benzoyl]piperidine-1-carboxamide
CID 45206398
[(3S)-1-(1,2,5-thiadiazole-3-carbonyl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 26332398
cyclopentyl-[3-(4-methoxybenzoyl)piperidin-1-yl]methanone
CID 110394678
ethyl 2-[[3-[4-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]amino]acetate
CID 45232941
N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-4-(trifluoromethyl)benzamide
CID 126780268
oxan-4-yl-[(3S)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]methanone
CID 42565887
N-[1-(1-acetylpiperidine-4-carbonyl)-3-[4-(trifluoromethyl)phenyl]piperidin-4-yl]-N-methyl-4-(trifluoromethyl)benzamide
CID 87628133
cyclopentyl-[4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl]methanone
CID 110797847

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3R)-3-[4-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(3R)-3-[4-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone (CID 25308165) is 1-[4-[(3R)-3-[4-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(3R)-3-[4-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(3R)-3-[4-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(C(=O)N2CCC[C@@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)CC1.
What is the InChIKey of 1-[4-[(3R)-3-[4-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone?
The InChIKey is RQTWFCHQTRYNHM-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H25F3N2O3/c1-14(27)25-11-8-16(9-12-25)20(29)26-10-2-3-17(13-26)19(28)15-4-6-18(7-5-15)21(22,23)24/h4-7,16-17H,2-3,8-13H2,1H3/t17-/m1/s1.
What are the key properties of 1-[4-[(3R)-3-[4-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone?
1-[4-[(3R)-3-[4-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone has a molecular weight of 410.44 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3R)-3-[4-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 25308165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).