N-[[2-(trifluoromethyl)phenyl]methyl]piperazine-2-carboxamide

C13H16F3N3O — CID 63102198

IUPACN-[[2-(trifluoromethyl)phenyl]methyl]piperazine-2-carboxamide
SMILESO=C(NCc1ccccc1C(F)(F)F)C1CNCCN1
InChIInChI=1S/C13H16F3N3O/c14-13(15,16)10-4-2-1-3-9(10)7-19-12(20)11-8-17-5-6-18-11/h1-4,11,17-18H,5-8H2,(H,19,20)
InChIKeyKNTUCOUHWXRNJZ-UHFFFAOYSA-N
MW287.28 g/mol
LogP0.88
Rot. Bonds3

About N-[[2-(trifluoromethyl)phenyl]methyl]piperazine-2-carboxamide

N-[[2-(trifluoromethyl)phenyl]methyl]piperazine-2-carboxamide (PubChem CID 63102198) has the molecular formula C13H16F3N3O and a molecular weight of 287.28 g/mol. Its IUPAC name is N-[[2-(trifluoromethyl)phenyl]methyl]piperazine-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(trifluoromethyl)phenyl]methyl]piperazine-2-carboxamide
PubChem CID63102198
Molecular FormulaC13H16F3N3O
Molecular Weight287.28 g/mol
Exact Mass287.12
IUPAC NameN-[[2-(trifluoromethyl)phenyl]methyl]piperazine-2-carboxamide
SMILESO=C(NCc1ccccc1C(F)(F)F)C1CNCCN1
InChIInChI=1S/C13H16F3N3O/c14-13(15,16)10-4-2-1-3-9(10)7-19-12(20)11-8-17-5-6-18-11/h1-4,11,17-18H,5-8H2,(H,19,20)
InChIKeyKNTUCOUHWXRNJZ-UHFFFAOYSA-N
XLogP0.88
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119705503
N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119279719
N-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]piperazine-2-carboxamide
CID 141192957
(2R,3S)-2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 120921553
3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 66010679
N-piperidin-3-yl-2-[2-(trifluoromethyl)phenyl]acetamide
CID 119426295
N-(2,2-dimethylpropyl)piperazine-2-carboxamide
CID 63103456
3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119705493
2-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 57455734
N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-2-carboxamide
CID 61254583
(2S)-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 61253216
3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119705497

Frequently Asked Questions

What is the IUPAC name of N-[[2-(trifluoromethyl)phenyl]methyl]piperazine-2-carboxamide?
The IUPAC name of N-[[2-(trifluoromethyl)phenyl]methyl]piperazine-2-carboxamide (CID 63102198) is N-[[2-(trifluoromethyl)phenyl]methyl]piperazine-2-carboxamide.
What is the SMILES notation for N-[[2-(trifluoromethyl)phenyl]methyl]piperazine-2-carboxamide?
The canonical SMILES for N-[[2-(trifluoromethyl)phenyl]methyl]piperazine-2-carboxamide is O=C(NCc1ccccc1C(F)(F)F)C1CNCCN1.
What is the InChIKey of N-[[2-(trifluoromethyl)phenyl]methyl]piperazine-2-carboxamide?
The InChIKey is KNTUCOUHWXRNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O/c14-13(15,16)10-4-2-1-3-9(10)7-19-12(20)11-8-17-5-6-18-11/h1-4,11,17-18H,5-8H2,(H,19,20).
What are the key properties of N-[[2-(trifluoromethyl)phenyl]methyl]piperazine-2-carboxamide?
N-[[2-(trifluoromethyl)phenyl]methyl]piperazine-2-carboxamide has a molecular weight of 287.28 g/mol, XLogP of 0.88, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(trifluoromethyl)phenyl]methyl]piperazine-2-carboxamide is sourced from PubChem (CID 63102198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).