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

C13H16F3N3O — CID 16787596

IUPAC1-[4-amino-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ccc(N)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C13H16F3N3O/c14-13(15,16)10-7-9(1-2-11(10)17)19-5-3-8(4-6-19)12(18)20/h1-2,7-8H,3-6,17H2,(H2,18,20)
InChIKeyLDPKNRLRSYQUGL-UHFFFAOYSA-N
MW287.29 g/mol
LogP1.99
Rot. Bonds2

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

1-[4-amino-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide (PubChem CID 16787596) has the molecular formula C13H16F3N3O and a molecular weight of 287.29 g/mol. Its IUPAC name is 1-[4-amino-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-amino-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
PubChem CID16787596
Molecular FormulaC13H16F3N3O
Molecular Weight287.29 g/mol
Exact Mass287.12
IUPAC Name1-[4-amino-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ccc(N)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C13H16F3N3O/c14-13(15,16)10-7-9(1-2-11(10)17)19-5-3-8(4-6-19)12(18)20/h1-2,7-8H,3-6,17H2,(H2,18,20)
InChIKeyLDPKNRLRSYQUGL-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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Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-amino-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide (CID 16787596) is 1-[4-amino-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-amino-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-amino-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide is NC(=O)C1CCN(c2ccc(N)c(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-[4-amino-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The InChIKey is LDPKNRLRSYQUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O/c14-13(15,16)10-7-9(1-2-11(10)17)19-5-3-8(4-6-19)12(18)20/h1-2,7-8H,3-6,17H2,(H2,18,20).
What are the key properties of 1-[4-amino-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
1-[4-amino-3-(trifluoromethyl)phenyl]piperidine-4-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-[4-amino-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 16787596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).