4-cyclopropyl-2-phenyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide

C21H22F3N3O — CID 90566912

IUPAC4-cyclopropyl-2-phenyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)N1CCN(C2CC2)CC1c1ccccc1
InChIInChI=1S/C21H22F3N3O/c22-21(23,24)17-8-4-5-9-18(17)25-20(28)27-13-12-26(16-10-11-16)14-19(27)15-6-2-1-3-7-15/h1-9,16,19H,10-14H2,(H,25,28)
InChIKeyUKGSBKVFLXARGV-UHFFFAOYSA-N
MW389.42 g/mol
LogP4.76
Rot. Bonds3

About 4-cyclopropyl-2-phenyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide

4-cyclopropyl-2-phenyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide (PubChem CID 90566912) has the molecular formula C21H22F3N3O and a molecular weight of 389.42 g/mol. Its IUPAC name is 4-cyclopropyl-2-phenyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-cyclopropyl-2-phenyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
PubChem CID90566912
Molecular FormulaC21H22F3N3O
Molecular Weight389.42 g/mol
Exact Mass389.17
IUPAC Name4-cyclopropyl-2-phenyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)N1CCN(C2CC2)CC1c1ccccc1
InChIInChI=1S/C21H22F3N3O/c22-21(23,24)17-8-4-5-9-18(17)25-20(28)27-13-12-26(16-10-11-16)14-19(27)15-6-2-1-3-7-15/h1-9,16,19H,10-14H2,(H,25,28)
InChIKeyUKGSBKVFLXARGV-UHFFFAOYSA-N
XLogP4.76
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-tert-butylphenyl)-4-cyclopropyl-2-phenylpiperazine-1-carboxamide
CID 90566900
(3R)-3-phenyl-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 51895142
4-cyclopropyl-N-(3,4-dichlorophenyl)-2-phenylpiperazine-1-carboxamide
CID 90566886
4-cyclopropyl-N-(3,4-dimethylphenyl)-2-phenylpiperazine-1-carboxamide
CID 90566899
1-(1-cyclopropylpyrrolidin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 51102219
(2R)-2-(3-methylphenyl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 94080902
(3R)-3-hydroxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 78931972
cyclopentyl 4-cyclopropyl-2-phenylpiperazine-1-carboxylate
CID 71801336
1-(4-cyclopropyl-2-phenylpiperazin-1-yl)-3,3-dimethylbutan-1-one
CID 90566675
3-hydroxy-4-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 103896300
4-thiomorpholin-4-yl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 72886540
2-(2-phenylpyrrolidin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 18137719

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-phenyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-cyclopropyl-2-phenyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide (CID 90566912) is 4-cyclopropyl-2-phenyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-cyclopropyl-2-phenyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-cyclopropyl-2-phenyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide is O=C(Nc1ccccc1C(F)(F)F)N1CCN(C2CC2)CC1c1ccccc1.
What is the InChIKey of 4-cyclopropyl-2-phenyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The InChIKey is UKGSBKVFLXARGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N3O/c22-21(23,24)17-8-4-5-9-18(17)25-20(28)27-13-12-26(16-10-11-16)14-19(27)15-6-2-1-3-7-15/h1-9,16,19H,10-14H2,(H,25,28).
What are the key properties of 4-cyclopropyl-2-phenyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
4-cyclopropyl-2-phenyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide has a molecular weight of 389.42 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-phenyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 90566912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).