1-tert-butyl-4-[4-(trifluoromethyl)benzoyl]piperazin-2-one

C16H19F3N2O2 — CID 110873671

IUPAC1-tert-butyl-4-[4-(trifluoromethyl)benzoyl]piperazin-2-one
SMILESCC(C)(C)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1=O
InChIInChI=1S/C16H19F3N2O2/c1-15(2,3)21-9-8-20(10-13(21)22)14(23)11-4-6-12(7-5-11)16(17,18)19/h4-7H,8-10H2,1-3H3
InChIKeyYRZAISRAZDJCKL-UHFFFAOYSA-N
MW328.33 g/mol
LogP2.79
Rot. Bonds1

About 1-tert-butyl-4-[4-(trifluoromethyl)benzoyl]piperazin-2-one

1-tert-butyl-4-[4-(trifluoromethyl)benzoyl]piperazin-2-one (PubChem CID 110873671) has the molecular formula C16H19F3N2O2 and a molecular weight of 328.33 g/mol. Its IUPAC name is 1-tert-butyl-4-[4-(trifluoromethyl)benzoyl]piperazin-2-one.

Molecular Properties

Compound Name1-tert-butyl-4-[4-(trifluoromethyl)benzoyl]piperazin-2-one
PubChem CID110873671
Molecular FormulaC16H19F3N2O2
Molecular Weight328.33 g/mol
Exact Mass328.14
IUPAC Name1-tert-butyl-4-[4-(trifluoromethyl)benzoyl]piperazin-2-one
SMILESCC(C)(C)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1=O
InChIInChI=1S/C16H19F3N2O2/c1-15(2,3)21-9-8-20(10-13(21)22)14(23)11-4-6-12(7-5-11)16(17,18)19/h4-7H,8-10H2,1-3H3
InChIKeyYRZAISRAZDJCKL-UHFFFAOYSA-N
XLogP2.79
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-4-(pyridine-4-carbonyl)piperazin-2-one
CID 110873668
1-propan-2-yl-4-[4-(trifluoromethyl)benzoyl]piperazin-2-one
CID 110709011
1-tert-butyl-4-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 108535476
(4-methylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone chloride
CID 53350752
[4-(4-bromobenzoyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 108534348
(4-ethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 2422199
4-(4-tert-butylbenzoyl)-1-propan-2-ylpiperazin-2-one
CID 110708986
[4-(4-tert-butylbenzoyl)piperazin-1-yl]-(4-tert-butylphenyl)methanone
CID 1241593
[4-(2-methylphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 589575
3,3-dimethyl-1-[4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl]butan-1-one
CID 110798978
thiomorpholin-4-yl-[4-(trifluoromethyl)phenyl]methanone
CID 146080386
(3,4-dihydroxypyrrolidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 106671798

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[4-(trifluoromethyl)benzoyl]piperazin-2-one?
The IUPAC name of 1-tert-butyl-4-[4-(trifluoromethyl)benzoyl]piperazin-2-one (CID 110873671) is 1-tert-butyl-4-[4-(trifluoromethyl)benzoyl]piperazin-2-one.
What is the SMILES notation for 1-tert-butyl-4-[4-(trifluoromethyl)benzoyl]piperazin-2-one?
The canonical SMILES for 1-tert-butyl-4-[4-(trifluoromethyl)benzoyl]piperazin-2-one is CC(C)(C)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1=O.
What is the InChIKey of 1-tert-butyl-4-[4-(trifluoromethyl)benzoyl]piperazin-2-one?
The InChIKey is YRZAISRAZDJCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O2/c1-15(2,3)21-9-8-20(10-13(21)22)14(23)11-4-6-12(7-5-11)16(17,18)19/h4-7H,8-10H2,1-3H3.
What are the key properties of 1-tert-butyl-4-[4-(trifluoromethyl)benzoyl]piperazin-2-one?
1-tert-butyl-4-[4-(trifluoromethyl)benzoyl]piperazin-2-one has a molecular weight of 328.33 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[4-(trifluoromethyl)benzoyl]piperazin-2-one is sourced from PubChem (CID 110873671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).