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

C16H22F3N3O — CID 17185767

IUPAC4-butyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESCCCCN1CCN(C(=O)Nc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C16H22F3N3O/c1-2-3-8-21-9-11-22(12-10-21)15(23)20-14-7-5-4-6-13(14)16(17,18)19/h4-7H,2-3,8-12H2,1H3,(H,20,23)
InChIKeyUMKYRHFSKVHMGT-UHFFFAOYSA-N
MW329.37 g/mol
LogP3.65
Rot. Bonds4

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

4-butyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide (PubChem CID 17185767) has the molecular formula C16H22F3N3O and a molecular weight of 329.37 g/mol. Its IUPAC name is 4-butyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-butyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
PubChem CID17185767
Molecular FormulaC16H22F3N3O
Molecular Weight329.37 g/mol
Exact Mass329.17
IUPAC Name4-butyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESCCCCN1CCN(C(=O)Nc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C16H22F3N3O/c1-2-3-8-21-9-11-22(12-10-21)15(23)20-14-7-5-4-6-13(14)16(17,18)19/h4-7H,2-3,8-12H2,1H3,(H,20,23)
InChIKeyUMKYRHFSKVHMGT-UHFFFAOYSA-N
XLogP3.65
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-tert-butylphenyl)-4-propylpiperazine-1-carboxamide
CID 113103174
4-(2-imidazol-1-ylethyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 90533532
4-butyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 17185768
N-(2-cyanophenyl)-4-pentylpiperazine-1-carboxamide
CID 113110841
4-benzyl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 3857364
4-butyl-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113103771
[2-(trifluoromethyl)phenyl]methyl 4-pentylpiperazine-1-carboxylate
CID 91201426
4-butyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine-1-carboxamide
CID 20795339
4-[(2R)-1-methoxypropan-2-yl]-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 95150226
N-(2-morpholin-4-ylphenyl)-4-pentylpiperazine-1-carboxamide
CID 113110823
4-benzhydryl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 2212510
4-butyl-N-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide
CID 113103802

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-butyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide (CID 17185767) is 4-butyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-butyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-butyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide is CCCCN1CCN(C(=O)Nc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 4-butyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The InChIKey is UMKYRHFSKVHMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O/c1-2-3-8-21-9-11-22(12-10-21)15(23)20-14-7-5-4-6-13(14)16(17,18)19/h4-7H,2-3,8-12H2,1H3,(H,20,23).
What are the key properties of 4-butyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
4-butyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide has a molecular weight of 329.37 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 17185767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).