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

C19H20F3N3O — CID 17184691

IUPACN-phenyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C19H20F3N3O/c20-19(21,22)16-8-6-15(7-9-16)14-24-10-12-25(13-11-24)18(26)23-17-4-2-1-3-5-17/h1-9H,10-14H2,(H,23,26)
InChIKeyPTYPZYQSJXQICS-UHFFFAOYSA-N
MW363.38 g/mol
LogP4.06
Rot. Bonds3

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

N-phenyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide (PubChem CID 17184691) has the molecular formula C19H20F3N3O and a molecular weight of 363.38 g/mol. Its IUPAC name is N-phenyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-phenyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide
PubChem CID17184691
Molecular FormulaC19H20F3N3O
Molecular Weight363.38 g/mol
Exact Mass363.16
IUPAC NameN-phenyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C19H20F3N3O/c20-19(21,22)16-8-6-15(7-9-16)14-24-10-12-25(13-11-24)18(26)23-17-4-2-1-3-5-17/h1-9H,10-14H2,(H,23,26)
InChIKeyPTYPZYQSJXQICS-UHFFFAOYSA-N
XLogP4.06
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide?
The IUPAC name of N-phenyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide (CID 17184691) is N-phenyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-phenyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide?
The canonical SMILES for N-phenyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide is O=C(Nc1ccccc1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N-phenyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide?
The InChIKey is PTYPZYQSJXQICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O/c20-19(21,22)16-8-6-15(7-9-16)14-24-10-12-25(13-11-24)18(26)23-17-4-2-1-3-5-17/h1-9H,10-14H2,(H,23,26).
What are the key properties of N-phenyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide?
N-phenyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide has a molecular weight of 363.38 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 17184691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).