[(2R)-4-cyclobutylpiperazin-2-yl]-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

C20H27F3N4O — CID 141317151

IUPAC[(2R)-4-cyclobutylpiperazin-2-yl]-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESO=C([C@H]1CN(C2CCC2)CCN1)N1CCN(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C20H27F3N4O/c21-20(22,23)15-4-6-17(7-5-15)25-10-12-26(13-11-25)19(28)18-14-27(9-8-24-18)16-2-1-3-16/h4-7,16,18,24H,1-3,8-14H2/t18-/m1/s1
InChIKeySGUGJTWNVAGBIF-GOSISDBHSA-N
MW396.46 g/mol
LogP2.18
Rot. Bonds3

About [(2R)-4-cyclobutylpiperazin-2-yl]-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

[(2R)-4-cyclobutylpiperazin-2-yl]-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (PubChem CID 141317151) has the molecular formula C20H27F3N4O and a molecular weight of 396.46 g/mol. Its IUPAC name is [(2R)-4-cyclobutylpiperazin-2-yl]-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(2R)-4-cyclobutylpiperazin-2-yl]-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
PubChem CID141317151
Molecular FormulaC20H27F3N4O
Molecular Weight396.46 g/mol
Exact Mass396.21
IUPAC Name[(2R)-4-cyclobutylpiperazin-2-yl]-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESO=C([C@H]1CN(C2CCC2)CCN1)N1CCN(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C20H27F3N4O/c21-20(22,23)15-4-6-17(7-5-15)25-10-12-26(13-11-25)19(28)18-14-27(9-8-24-18)16-2-1-3-16/h4-7,16,18,24H,1-3,8-14H2/t18-/m1/s1
InChIKeySGUGJTWNVAGBIF-GOSISDBHSA-N
XLogP2.18
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2R)-4-cyclobutylpiperazin-2-yl]-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

[(2R)-4-propan-2-ylpiperazin-2-yl]-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 59846079
(1-cyclopentylpyrrolidin-3-yl)-[4-[4-(trifluoromethyl)phenyl]-1,4-diazepan-1-yl]methanone
CID 155199467
[4-(4-fluorophenyl)piperazin-1-yl]-piperidin-2-ylmethanone;dihydrochloride
CID 119827491
[4-(4-fluorophenyl)piperazin-1-yl]-[(2R)-4-propan-2-ylpiperazin-2-yl]methanone
CID 59845995
[4-(4-hydroxyphenyl)piperazin-1-yl]-piperidin-2-ylmethanone
CID 60936747
[4-(4-fluorophenyl)piperazin-1-yl]-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
CID 46688999
(4-cycloheptylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 113074934
4-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]benzamide
CID 68721294
(4-cyclopentylpiperazin-1-yl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
CID 55584059
2,2,3,3,4,4,4-heptafluoro-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one
CID 91745165
4-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]benzamide;dihydrochloride
CID 119890505
4-[3-(morpholine-4-carbonyl)piperazin-1-yl]piperidine-1-carboxylic acid
CID 68990081

Frequently Asked Questions

What is the IUPAC name of [(2R)-4-cyclobutylpiperazin-2-yl]-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The IUPAC name of [(2R)-4-cyclobutylpiperazin-2-yl]-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (CID 141317151) is [(2R)-4-cyclobutylpiperazin-2-yl]-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.
What is the SMILES notation for [(2R)-4-cyclobutylpiperazin-2-yl]-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The canonical SMILES for [(2R)-4-cyclobutylpiperazin-2-yl]-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is O=C([C@H]1CN(C2CCC2)CCN1)N1CCN(c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of [(2R)-4-cyclobutylpiperazin-2-yl]-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The InChIKey is SGUGJTWNVAGBIF-GOSISDBHSA-N. The full InChI is InChI=1S/C20H27F3N4O/c21-20(22,23)15-4-6-17(7-5-15)25-10-12-26(13-11-25)19(28)18-14-27(9-8-24-18)16-2-1-3-16/h4-7,16,18,24H,1-3,8-14H2/t18-/m1/s1.
What are the key properties of [(2R)-4-cyclobutylpiperazin-2-yl]-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
[(2R)-4-cyclobutylpiperazin-2-yl]-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone has a molecular weight of 396.46 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-cyclobutylpiperazin-2-yl]-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is sourced from PubChem (CID 141317151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).