1-(3-methylpiperidin-1-yl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone

C20H26F3N3O2 — CID 78857533

IUPAC1-(3-methylpiperidin-1-yl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone
SMILESCC1CCCN(C(=O)CN2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)C1
InChIInChI=1S/C20H26F3N3O2/c1-15-3-2-8-26(13-15)18(27)14-24-9-11-25(12-10-24)19(28)16-4-6-17(7-5-16)20(21,22)23/h4-7,15H,2-3,8-14H2,1H3
InChIKeyNXMGQMYASRYUGE-UHFFFAOYSA-N
MW397.44 g/mol
LogP2.72
Rot. Bonds3

About 1-(3-methylpiperidin-1-yl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone

1-(3-methylpiperidin-1-yl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone (PubChem CID 78857533) has the molecular formula C20H26F3N3O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is 1-(3-methylpiperidin-1-yl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(3-methylpiperidin-1-yl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone
PubChem CID78857533
Molecular FormulaC20H26F3N3O2
Molecular Weight397.44 g/mol
Exact Mass397.20
IUPAC Name1-(3-methylpiperidin-1-yl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone
SMILESCC1CCCN(C(=O)CN2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)C1
InChIInChI=1S/C20H26F3N3O2/c1-15-3-2-8-26(13-15)18(27)14-24-9-11-25(12-10-24)19(28)16-4-6-17(7-5-16)20(21,22)23/h4-7,15H,2-3,8-14H2,1H3
InChIKeyNXMGQMYASRYUGE-UHFFFAOYSA-N
XLogP2.72
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3-methylpiperidin-1-yl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

(4-methylazepan-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 84581680
(4-ethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 2422199
[(3S)-3-hydroxypiperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 93032469
1-[4-[4-(3-methylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone
CID 109046471
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 55320542
N-phenyl-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide
CID 59404826
3,3-dimethyl-1-[4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl]butan-1-one
CID 110798978
2-cyclohexyl-1-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone
CID 55586569
(3-methylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 78783825
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113489
cyclopentyl-[4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl]methanone
CID 110797847
[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 71783092

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpiperidin-1-yl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-(3-methylpiperidin-1-yl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone (CID 78857533) is 1-(3-methylpiperidin-1-yl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(3-methylpiperidin-1-yl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-(3-methylpiperidin-1-yl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone is CC1CCCN(C(=O)CN2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)C1.
What is the InChIKey of 1-(3-methylpiperidin-1-yl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone?
The InChIKey is NXMGQMYASRYUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3N3O2/c1-15-3-2-8-26(13-15)18(27)14-24-9-11-25(12-10-24)19(28)16-4-6-17(7-5-16)20(21,22)23/h4-7,15H,2-3,8-14H2,1H3.
What are the key properties of 1-(3-methylpiperidin-1-yl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone?
1-(3-methylpiperidin-1-yl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone has a molecular weight of 397.44 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpiperidin-1-yl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 78857533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).