4-butyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

C16H22F3N3O — CID 17185768

IUPAC4-butyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESCCCCN1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C16H22F3N3O/c1-2-3-7-21-8-10-22(11-9-21)15(23)20-14-6-4-5-13(12-14)16(17,18)19/h4-6,12H,2-3,7-11H2,1H3,(H,20,23)
InChIKeyVQAMZXADGNXBKY-UHFFFAOYSA-N
MW329.37 g/mol
LogP3.65
Rot. Bonds4

About 4-butyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

4-butyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide (PubChem CID 17185768) has the molecular formula C16H22F3N3O and a molecular weight of 329.37 g/mol. Its IUPAC name is 4-butyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-butyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
PubChem CID17185768
Molecular FormulaC16H22F3N3O
Molecular Weight329.37 g/mol
Exact Mass329.17
IUPAC Name4-butyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESCCCCN1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C16H22F3N3O/c1-2-3-7-21-8-10-22(11-9-21)15(23)20-14-6-4-5-13(12-14)16(17,18)19/h4-6,12H,2-3,7-11H2,1H3,(H,20,23)
InChIKeyVQAMZXADGNXBKY-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

ethyl 4-[[3-(trifluoromethyl)phenyl]carbamoyl]piperazine-1-carboxylate
CID 3784054
2-(1-butylpiperidin-4-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 145278481
N-(3-chlorophenyl)-4-pentylpiperazine-1-carboxamide
CID 17184978
4-ethyl-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carboxamide
CID 7165092
4-[(1-methylpyrazol-4-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 19293574
4-(furan-2-ylmethyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 6464316
N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 22614394
4-butyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 17185767
4-hydroxy-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 4251973
N-ethyl-4-[4-[3-(trifluoromethyl)phenyl]butyl]piperazine-1-carboxamide
CID 70382376
4-[(2-chloro-6-fluorophenyl)methyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 19293560
methyl 2-[1-butyl-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]piperidin-4-yl]acetate
CID 126711641

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-butyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide (CID 17185768) is 4-butyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-butyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-butyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide is CCCCN1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 4-butyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The InChIKey is VQAMZXADGNXBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O/c1-2-3-7-21-8-10-22(11-9-21)15(23)20-14-6-4-5-13(12-14)16(17,18)19/h4-6,12H,2-3,7-11H2,1H3,(H,20,23).
What are the key properties of 4-butyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
4-butyl-N-[3-(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-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 17185768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).