1-[2-amino-4-(trifluoromethyl)phenyl]piperidine-3-carboxamide

C13H16F3N3O — CID 16784735

IUPAC1-[2-amino-4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2ccc(C(F)(F)F)cc2N)C1
InChIInChI=1S/C13H16F3N3O/c14-13(15,16)9-3-4-11(10(17)6-9)19-5-1-2-8(7-19)12(18)20/h3-4,6,8H,1-2,5,7,17H2,(H2,18,20)
InChIKeyVRATWTXUNSRIAG-UHFFFAOYSA-N
MW287.29 g/mol
LogP1.99
Rot. Bonds2

About 1-[2-amino-4-(trifluoromethyl)phenyl]piperidine-3-carboxamide

1-[2-amino-4-(trifluoromethyl)phenyl]piperidine-3-carboxamide (PubChem CID 16784735) has the molecular formula C13H16F3N3O and a molecular weight of 287.29 g/mol. Its IUPAC name is 1-[2-amino-4-(trifluoromethyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-amino-4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
PubChem CID16784735
Molecular FormulaC13H16F3N3O
Molecular Weight287.29 g/mol
Exact Mass287.12
IUPAC Name1-[2-amino-4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2ccc(C(F)(F)F)cc2N)C1
InChIInChI=1S/C13H16F3N3O/c14-13(15,16)9-3-4-11(10(17)6-9)19-5-1-2-8(7-19)12(18)20/h3-4,6,8H,1-2,5,7,17H2,(H2,18,20)
InChIKeyVRATWTXUNSRIAG-UHFFFAOYSA-N
XLogP1.99
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-(3-carbamoylpiperidin-1-yl)benzoic acid
CID 54888911
2-(azetidin-1-yl)-5-(trifluoromethyl)aniline
CID 58829519
2-(3-methoxypiperidin-1-yl)-5-(trifluoromethyl)aniline
CID 102955751
1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]piperidine-3-carboxamide
CID 106747103
1-(4-amino-2-fluorophenyl)piperidine-3-carboxamide
CID 43123574
2-[4-[2-amino-4-(trifluoromethyl)phenyl]piperazin-1-yl]-5-(trifluoromethyl)aniline
CID 102226461
1-(2-amino-4-chloro-5-fluorophenyl)piperidine-3-carboxamide
CID 66077177
1-(2-amino-5-bromophenyl)piperidine-3-carboxamide
CID 65341597
[1-[2-chloro-4-(trifluoromethyl)phenyl]piperidin-3-yl] carbamate
CID 175145028
1-(2-amino-5-cyanophenyl)piperidine-3-carboxamide
CID 104711327
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 30980962
(3R)-1-[4-(hydroxymethyl)-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 151249599

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-4-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-amino-4-(trifluoromethyl)phenyl]piperidine-3-carboxamide (CID 16784735) is 1-[2-amino-4-(trifluoromethyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-amino-4-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-amino-4-(trifluoromethyl)phenyl]piperidine-3-carboxamide is NC(=O)C1CCCN(c2ccc(C(F)(F)F)cc2N)C1.
What is the InChIKey of 1-[2-amino-4-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The InChIKey is VRATWTXUNSRIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O/c14-13(15,16)9-3-4-11(10(17)6-9)19-5-1-2-8(7-19)12(18)20/h3-4,6,8H,1-2,5,7,17H2,(H2,18,20).
What are the key properties of 1-[2-amino-4-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
1-[2-amino-4-(trifluoromethyl)phenyl]piperidine-3-carboxamide has a molecular weight of 287.29 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-4-(trifluoromethyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 16784735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).