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

C15H20F3N3O — CID 113078021

IUPACN-propan-2-yl-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESCC(C)NC(=O)N1CCN(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C15H20F3N3O/c1-11(2)19-14(22)21-9-7-20(8-10-21)13-6-4-3-5-12(13)15(16,17)18/h3-6,11H,7-10H2,1-2H3,(H,19,22)
InChIKeyJTBCINOQCSBUHW-UHFFFAOYSA-N
MW315.34 g/mol
LogP2.95
Rot. Bonds2

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

N-propan-2-yl-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide (PubChem CID 113078021) has the molecular formula C15H20F3N3O and a molecular weight of 315.34 g/mol. Its IUPAC name is N-propan-2-yl-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
PubChem CID113078021
Molecular FormulaC15H20F3N3O
Molecular Weight315.34 g/mol
Exact Mass315.16
IUPAC NameN-propan-2-yl-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESCC(C)NC(=O)N1CCN(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C15H20F3N3O/c1-11(2)19-14(22)21-9-7-20(8-10-21)13-6-4-3-5-12(13)15(16,17)18/h3-6,11H,7-10H2,1-2H3,(H,19,22)
InChIKeyJTBCINOQCSBUHW-UHFFFAOYSA-N
XLogP2.95
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of N-propan-2-yl-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide (CID 113078021) is N-propan-2-yl-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for N-propan-2-yl-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for N-propan-2-yl-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide is CC(C)NC(=O)N1CCN(c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of N-propan-2-yl-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The InChIKey is JTBCINOQCSBUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O/c1-11(2)19-14(22)21-9-7-20(8-10-21)13-6-4-3-5-12(13)15(16,17)18/h3-6,11H,7-10H2,1-2H3,(H,19,22).
What are the key properties of N-propan-2-yl-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
N-propan-2-yl-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide has a molecular weight of 315.34 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 113078021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).