2,2,2-trifluoro-1-[4-[4-(4-methylphenoxy)piperidine-1-carbonyl]piperidin-1-yl]ethanone

C20H25F3N2O3 — CID 110397098

IUPAC2,2,2-trifluoro-1-[4-[4-(4-methylphenoxy)piperidine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCc1ccc(OC2CCN(C(=O)C3CCN(C(=O)C(F)(F)F)CC3)CC2)cc1
InChIInChI=1S/C20H25F3N2O3/c1-14-2-4-16(5-3-14)28-17-8-12-24(13-9-17)18(26)15-6-10-25(11-7-15)19(27)20(21,22)23/h2-5,15,17H,6-13H2,1H3
InChIKeyCSFJHULJJBZZIJ-UHFFFAOYSA-N
MW398.43 g/mol
LogP3.17
Rot. Bonds3

About 2,2,2-trifluoro-1-[4-[4-(4-methylphenoxy)piperidine-1-carbonyl]piperidin-1-yl]ethanone

2,2,2-trifluoro-1-[4-[4-(4-methylphenoxy)piperidine-1-carbonyl]piperidin-1-yl]ethanone (PubChem CID 110397098) has the molecular formula C20H25F3N2O3 and a molecular weight of 398.43 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[4-[4-(4-methylphenoxy)piperidine-1-carbonyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[4-[4-(4-methylphenoxy)piperidine-1-carbonyl]piperidin-1-yl]ethanone
PubChem CID110397098
Molecular FormulaC20H25F3N2O3
Molecular Weight398.43 g/mol
Exact Mass398.18
IUPAC Name2,2,2-trifluoro-1-[4-[4-(4-methylphenoxy)piperidine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCc1ccc(OC2CCN(C(=O)C3CCN(C(=O)C(F)(F)F)CC3)CC2)cc1
InChIInChI=1S/C20H25F3N2O3/c1-14-2-4-16(5-3-14)28-17-8-12-24(13-9-17)18(26)15-6-10-25(11-7-15)19(27)20(21,22)23/h2-5,15,17H,6-13H2,1H3
InChIKeyCSFJHULJJBZZIJ-UHFFFAOYSA-N
XLogP3.17
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-1-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-one
CID 90245405
cyclopropyl-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396800
[4-(4-methylphenoxy)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120622997
2,2,2-trifluoro-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 110344018
[3-(4-methylphenoxy)azetidin-1-yl]-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone
CID 90652723
1-[4-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2,2,2-trifluoroethanone
CID 110364785
[4-(4-methylphenoxy)piperidin-1-yl]-phenylmethanone
CID 110397046
1-[4-(4-aminophenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 144986405
phenyl 4-(4-methylphenoxy)piperidine-1-carboxylate
CID 110397090
[4-(4-methylphenoxy)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174977791
[(1S,3R,4R)-4-amino-3-propoxycyclohexyl]-[4-(4-methylphenoxy)piperidin-1-yl]methanone
CID 155508194
cyclopropyl-[4-[4-(5-methylquinolin-7-yl)phenoxy]piperidin-1-yl]methanone;hydrochloride
CID 156702415

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[4-[4-(4-methylphenoxy)piperidine-1-carbonyl]piperidin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[4-[4-(4-methylphenoxy)piperidine-1-carbonyl]piperidin-1-yl]ethanone (CID 110397098) is 2,2,2-trifluoro-1-[4-[4-(4-methylphenoxy)piperidine-1-carbonyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[4-[4-(4-methylphenoxy)piperidine-1-carbonyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[4-[4-(4-methylphenoxy)piperidine-1-carbonyl]piperidin-1-yl]ethanone is Cc1ccc(OC2CCN(C(=O)C3CCN(C(=O)C(F)(F)F)CC3)CC2)cc1.
What is the InChIKey of 2,2,2-trifluoro-1-[4-[4-(4-methylphenoxy)piperidine-1-carbonyl]piperidin-1-yl]ethanone?
The InChIKey is CSFJHULJJBZZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N2O3/c1-14-2-4-16(5-3-14)28-17-8-12-24(13-9-17)18(26)15-6-10-25(11-7-15)19(27)20(21,22)23/h2-5,15,17H,6-13H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-[4-[4-(4-methylphenoxy)piperidine-1-carbonyl]piperidin-1-yl]ethanone?
2,2,2-trifluoro-1-[4-[4-(4-methylphenoxy)piperidine-1-carbonyl]piperidin-1-yl]ethanone has a molecular weight of 398.43 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[4-[4-(4-methylphenoxy)piperidine-1-carbonyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110397098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).