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

C25H29F3N4O2 — CID 35615387

IUPAC1-piperidin-1-yl-2-[4-[2-[3-(trifluoromethyl)anilino]benzoyl]piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(C(=O)c2ccccc2Nc2cccc(C(F)(F)F)c2)CC1)N1CCCCC1
InChIInChI=1S/C25H29F3N4O2/c26-25(27,28)19-7-6-8-20(17-19)29-22-10-3-2-9-21(22)24(34)32-15-13-30(14-16-32)18-23(33)31-11-4-1-5-12-31/h2-3,6-10,17,29H,1,4-5,11-16,18H2
InChIKeyIMIXEUBKGBVYCQ-UHFFFAOYSA-N
MW474.53 g/mol
LogP4.22
Rot. Bonds5

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

1-piperidin-1-yl-2-[4-[2-[3-(trifluoromethyl)anilino]benzoyl]piperazin-1-yl]ethanone (PubChem CID 35615387) has the molecular formula C25H29F3N4O2 and a molecular weight of 474.53 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-[4-[2-[3-(trifluoromethyl)anilino]benzoyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-piperidin-1-yl-2-[4-[2-[3-(trifluoromethyl)anilino]benzoyl]piperazin-1-yl]ethanone
PubChem CID35615387
Molecular FormulaC25H29F3N4O2
Molecular Weight474.53 g/mol
Exact Mass474.22
IUPAC Name1-piperidin-1-yl-2-[4-[2-[3-(trifluoromethyl)anilino]benzoyl]piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(C(=O)c2ccccc2Nc2cccc(C(F)(F)F)c2)CC1)N1CCCCC1
InChIInChI=1S/C25H29F3N4O2/c26-25(27,28)19-7-6-8-20(17-19)29-22-10-3-2-9-21(22)24(34)32-15-13-30(14-16-32)18-23(33)31-11-4-1-5-12-31/h2-3,6-10,17,29H,1,4-5,11-16,18H2
InChIKeyIMIXEUBKGBVYCQ-UHFFFAOYSA-N
XLogP4.22
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.53
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

azepan-1-yl-[1-[2-[3-(trifluoromethyl)anilino]benzoyl]piperidin-4-yl]methanone
CID 55407549
(4-methyl-1,4-diazepan-1-yl)-[2-[3-(trifluoromethyl)anilino]phenyl]methanone
CID 112791453
(2-oxo-2-piperidin-1-ylethyl) 2-[3-(trifluoromethyl)anilino]benzoate
CID 4842956
[4-(methylaminomethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)anilino]phenyl]methanone;hydrochloride
CID 119545996
[3-(1-aminoethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)anilino]phenyl]methanone
CID 119595883
(2-anilinophenyl)-(azepan-1-yl)methanone
CID 25352843
2-[4-(2-iodobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 30543126
1-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 1065174
2-[2-[2-[3-(trifluoromethyl)anilino]benzoyl]oxyethoxy]ethyl 2-[3-(trifluoromethyl)anilino]benzoate
CID 129318388
ethane;2-[3-(trifluoromethyl)anilino]benzamide
CID 142468111
1-(4-benzylpiperidin-1-yl)-2-[4-[2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carbonyl]piperazin-1-yl]ethanone
CID 42876910
piperidin-1-yl-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone
CID 109182660

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-[4-[2-[3-(trifluoromethyl)anilino]benzoyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-piperidin-1-yl-2-[4-[2-[3-(trifluoromethyl)anilino]benzoyl]piperazin-1-yl]ethanone (CID 35615387) is 1-piperidin-1-yl-2-[4-[2-[3-(trifluoromethyl)anilino]benzoyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-piperidin-1-yl-2-[4-[2-[3-(trifluoromethyl)anilino]benzoyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-piperidin-1-yl-2-[4-[2-[3-(trifluoromethyl)anilino]benzoyl]piperazin-1-yl]ethanone is O=C(CN1CCN(C(=O)c2ccccc2Nc2cccc(C(F)(F)F)c2)CC1)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-[4-[2-[3-(trifluoromethyl)anilino]benzoyl]piperazin-1-yl]ethanone?
The InChIKey is IMIXEUBKGBVYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F3N4O2/c26-25(27,28)19-7-6-8-20(17-19)29-22-10-3-2-9-21(22)24(34)32-15-13-30(14-16-32)18-23(33)31-11-4-1-5-12-31/h2-3,6-10,17,29H,1,4-5,11-16,18H2.
What are the key properties of 1-piperidin-1-yl-2-[4-[2-[3-(trifluoromethyl)anilino]benzoyl]piperazin-1-yl]ethanone?
1-piperidin-1-yl-2-[4-[2-[3-(trifluoromethyl)anilino]benzoyl]piperazin-1-yl]ethanone has a molecular weight of 474.53 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-[4-[2-[3-(trifluoromethyl)anilino]benzoyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 35615387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).