N-phenyl-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]propanamide

C21H22F3N3O2 — CID 46406003

IUPACN-phenyl-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccccc1)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C21H22F3N3O2/c1-15(19(28)25-16-7-3-2-4-8-16)26-11-13-27(14-12-26)20(29)17-9-5-6-10-18(17)21(22,23)24/h2-10,15H,11-14H2,1H3,(H,25,28)
InChIKeyYMZQSYWDDMQUFD-UHFFFAOYSA-N
MW405.42 g/mol
LogP3.49
Rot. Bonds4

About N-phenyl-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]propanamide

N-phenyl-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]propanamide (PubChem CID 46406003) has the molecular formula C21H22F3N3O2 and a molecular weight of 405.42 g/mol. Its IUPAC name is N-phenyl-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-phenyl-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]propanamide
PubChem CID46406003
Molecular FormulaC21H22F3N3O2
Molecular Weight405.42 g/mol
Exact Mass405.17
IUPAC NameN-phenyl-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccccc1)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C21H22F3N3O2/c1-15(19(28)25-16-7-3-2-4-8-16)26-11-13-27(14-12-26)20(29)17-9-5-6-10-18(17)21(22,23)24/h2-10,15H,11-14H2,1H3,(H,25,28)
InChIKeyYMZQSYWDDMQUFD-UHFFFAOYSA-N
XLogP3.49
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.42
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylsulfanylphenyl)-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]propanamide
CID 55627241
2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 46563153
2-(4-benzoylpiperazin-1-yl)-N-(4-fluorophenyl)propanamide
CID 18082983
N-phenyl-2-piperidin-1-ylpropanamide
CID 4788909
2-(4-benzoylpiperazin-1-yl)-N-(4-chlorophenyl)propanamide
CID 18082984
2-(4-benzoylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 18085911
[4-(2-chlorobenzoyl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 32753291
2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 24506631
2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]-N-phenylpropanamide
CID 91340917
N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]acetamide
CID 154499668
(2R)-2-(4-benzoylpiperazin-1-yl)-N-(4-phenoxyphenyl)propanamide
CID 31375794
N-cyclopropyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]propanamide
CID 51329108

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]propanamide?
The IUPAC name of N-phenyl-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]propanamide (CID 46406003) is N-phenyl-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-phenyl-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-phenyl-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]propanamide is CC(C(=O)Nc1ccccc1)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of N-phenyl-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]propanamide?
The InChIKey is YMZQSYWDDMQUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N3O2/c1-15(19(28)25-16-7-3-2-4-8-16)26-11-13-27(14-12-26)20(29)17-9-5-6-10-18(17)21(22,23)24/h2-10,15H,11-14H2,1H3,(H,25,28).
What are the key properties of N-phenyl-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]propanamide?
N-phenyl-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]propanamide has a molecular weight of 405.42 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 46406003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).