benzyl 4-[2-(trifluoromethyl)benzoyl]piperazine-1-carboxylate

C20H19F3N2O3 — CID 108569496

IUPACbenzyl 4-[2-(trifluoromethyl)benzoyl]piperazine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C20H19F3N2O3/c21-20(22,23)17-9-5-4-8-16(17)18(26)24-10-12-25(13-11-24)19(27)28-14-15-6-2-1-3-7-15/h1-9H,10-14H2
InChIKeyBDXMXCDIQAQCRY-UHFFFAOYSA-N
MW392.38 g/mol
LogP3.80
Rot. Bonds3

About benzyl 4-[2-(trifluoromethyl)benzoyl]piperazine-1-carboxylate

benzyl 4-[2-(trifluoromethyl)benzoyl]piperazine-1-carboxylate (PubChem CID 108569496) has the molecular formula C20H19F3N2O3 and a molecular weight of 392.38 g/mol. Its IUPAC name is benzyl 4-[2-(trifluoromethyl)benzoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[2-(trifluoromethyl)benzoyl]piperazine-1-carboxylate
PubChem CID108569496
Molecular FormulaC20H19F3N2O3
Molecular Weight392.38 g/mol
Exact Mass392.13
IUPAC Namebenzyl 4-[2-(trifluoromethyl)benzoyl]piperazine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C20H19F3N2O3/c21-20(22,23)17-9-5-4-8-16(17)18(26)24-10-12-25(13-11-24)19(27)28-14-15-6-2-1-3-7-15/h1-9H,10-14H2
InChIKeyBDXMXCDIQAQCRY-UHFFFAOYSA-N
XLogP3.80
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 4-(2-hydroxybenzoyl)piperazine-1-carboxylate
CID 108568153
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 4-(2-iodobenzoyl)piperazine-1-carboxylate
CID 108567896
butyl 4-[2-(trifluoromethyl)benzoyl]piperazine-1-carboxylate
CID 108569491
benzyl aziridine-1-carboxylate;silane
CID 158496499
2-amino-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone;hydrochloride
CID 66953178
[4-(2-chlorobenzoyl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 32753291
benzyl 4-(2,2,4-trifluoro-3-oxobutanoyl)piperazine-1-carboxylate
CID 87446866
benzyl piperidine-1-carboxylate
CID 158057698
[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 91833292
1-[2-(trifluoromethyl)benzoyl]piperidin-4-one
CID 24701821
4-phenoxy-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]butan-1-one
CID 108536244

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[2-(trifluoromethyl)benzoyl]piperazine-1-carboxylate?
The IUPAC name of benzyl 4-[2-(trifluoromethyl)benzoyl]piperazine-1-carboxylate (CID 108569496) is benzyl 4-[2-(trifluoromethyl)benzoyl]piperazine-1-carboxylate.
What is the SMILES notation for benzyl 4-[2-(trifluoromethyl)benzoyl]piperazine-1-carboxylate?
The canonical SMILES for benzyl 4-[2-(trifluoromethyl)benzoyl]piperazine-1-carboxylate is O=C(OCc1ccccc1)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of benzyl 4-[2-(trifluoromethyl)benzoyl]piperazine-1-carboxylate?
The InChIKey is BDXMXCDIQAQCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O3/c21-20(22,23)17-9-5-4-8-16(17)18(26)24-10-12-25(13-11-24)19(27)28-14-15-6-2-1-3-7-15/h1-9H,10-14H2.
What are the key properties of benzyl 4-[2-(trifluoromethyl)benzoyl]piperazine-1-carboxylate?
benzyl 4-[2-(trifluoromethyl)benzoyl]piperazine-1-carboxylate has a molecular weight of 392.38 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[2-(trifluoromethyl)benzoyl]piperazine-1-carboxylate is sourced from PubChem (CID 108569496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).