3-amino-N-piperidin-1-yl-4-(trifluoromethoxy)benzamide

C13H16F3N3O2 — CID 116628965

IUPAC3-amino-N-piperidin-1-yl-4-(trifluoromethoxy)benzamide
SMILESNc1cc(C(=O)NN2CCCCC2)ccc1OC(F)(F)F
InChIInChI=1S/C13H16F3N3O2/c14-13(15,16)21-11-5-4-9(8-10(11)17)12(20)18-19-6-2-1-3-7-19/h4-5,8H,1-3,6-7,17H2,(H,18,20)
InChIKeyXDUJNVQXNMTHNF-UHFFFAOYSA-N
MW303.28 g/mol
LogP2.30
Rot. Bonds3

About 3-amino-N-piperidin-1-yl-4-(trifluoromethoxy)benzamide

3-amino-N-piperidin-1-yl-4-(trifluoromethoxy)benzamide (PubChem CID 116628965) has the molecular formula C13H16F3N3O2 and a molecular weight of 303.28 g/mol. Its IUPAC name is 3-amino-N-piperidin-1-yl-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound Name3-amino-N-piperidin-1-yl-4-(trifluoromethoxy)benzamide
PubChem CID116628965
Molecular FormulaC13H16F3N3O2
Molecular Weight303.28 g/mol
Exact Mass303.12
IUPAC Name3-amino-N-piperidin-1-yl-4-(trifluoromethoxy)benzamide
SMILESNc1cc(C(=O)NN2CCCCC2)ccc1OC(F)(F)F
InChIInChI=1S/C13H16F3N3O2/c14-13(15,16)21-11-5-4-9(8-10(11)17)12(20)18-19-6-2-1-3-7-19/h4-5,8H,1-3,6-7,17H2,(H,18,20)
InChIKeyXDUJNVQXNMTHNF-UHFFFAOYSA-N
XLogP2.30
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-methyl-4-(trifluoromethoxy)benzamide
CID 116628466
3-amino-N-(1-methylcyclopentyl)-4-(trifluoromethoxy)benzamide
CID 116628775
3-amino-N-(cyclobutylmethyl)-4-(trifluoromethoxy)benzamide
CID 116628568
1-[3-amino-4-(trifluoromethoxy)phenyl]ethanone
CID 170997628
3-amino-N-(thian-4-yl)-4-(trifluoromethoxy)benzamide
CID 116629037
3-amino-N-(1-cyclopropylethyl)-4-(trifluoromethoxy)benzamide
CID 116628580
3-amino-5-fluoro-4-methyl-N-piperidin-1-ylbenzamide
CID 83013511
3-amino-N-(1-cyclopropylpropan-2-yl)-4-(trifluoromethoxy)benzamide
CID 116628865
[3-amino-4-(trifluoromethoxy)phenyl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107209973
3-fluoro-4-methyl-N-piperidin-1-ylbenzamide
CID 9083904
3-amino-N-(2-methylsulfanylpropyl)-4-(trifluoromethoxy)benzamide
CID 116628993
[3-amino-4-(2,2,2-trifluoroethoxy)phenyl]-piperidin-1-ylmethanone
CID 171933212

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-piperidin-1-yl-4-(trifluoromethoxy)benzamide?
The IUPAC name of 3-amino-N-piperidin-1-yl-4-(trifluoromethoxy)benzamide (CID 116628965) is 3-amino-N-piperidin-1-yl-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for 3-amino-N-piperidin-1-yl-4-(trifluoromethoxy)benzamide?
The canonical SMILES for 3-amino-N-piperidin-1-yl-4-(trifluoromethoxy)benzamide is Nc1cc(C(=O)NN2CCCCC2)ccc1OC(F)(F)F.
What is the InChIKey of 3-amino-N-piperidin-1-yl-4-(trifluoromethoxy)benzamide?
The InChIKey is XDUJNVQXNMTHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O2/c14-13(15,16)21-11-5-4-9(8-10(11)17)12(20)18-19-6-2-1-3-7-19/h4-5,8H,1-3,6-7,17H2,(H,18,20).
What are the key properties of 3-amino-N-piperidin-1-yl-4-(trifluoromethoxy)benzamide?
3-amino-N-piperidin-1-yl-4-(trifluoromethoxy)benzamide has a molecular weight of 303.28 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-piperidin-1-yl-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 116628965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).