1-piperidin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanone

C13H16F3N3O — CID 115677839

IUPAC1-piperidin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanone
SMILESO=C(CNc1ncccc1C(F)(F)F)N1CCCCC1
InChIInChI=1S/C13H16F3N3O/c14-13(15,16)10-5-4-6-17-12(10)18-9-11(20)19-7-2-1-3-8-19/h4-6H,1-3,7-9H2,(H,17,18)
InChIKeyTYAXNAPRKMTPNE-UHFFFAOYSA-N
MW287.28 g/mol
LogP2.52
Rot. Bonds3

About 1-piperidin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanone

1-piperidin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanone (PubChem CID 115677839) has the molecular formula C13H16F3N3O and a molecular weight of 287.28 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanone.

Molecular Properties

Compound Name1-piperidin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanone
PubChem CID115677839
Molecular FormulaC13H16F3N3O
Molecular Weight287.28 g/mol
Exact Mass287.12
IUPAC Name1-piperidin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanone
SMILESO=C(CNc1ncccc1C(F)(F)F)N1CCCCC1
InChIInChI=1S/C13H16F3N3O/c14-13(15,16)10-5-4-6-17-12(10)18-9-11(20)19-7-2-1-3-8-19/h4-6H,1-3,7-9H2,(H,17,18)
InChIKeyTYAXNAPRKMTPNE-UHFFFAOYSA-N
XLogP2.52
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-amino-2-pyridinyl)amino]-1-piperidin-1-ylethanone
CID 113405876
1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-[2-(trifluoromethyl)anilino]ethanone
CID 109004921
2-[(3-methyl-2-pyridinyl)amino]-1-piperazin-1-ylethanone
CID 62255323
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-piperidin-1-ylethanone
CID 71891929
2-(2-tert-butylanilino)-1-piperidin-1-ylethanone
CID 60685891
2-[4-methyl-3-(trifluoromethyl)anilino]-1-pyrrolidin-1-ylethanone
CID 60703975
N-ethyl-3-(trifluoromethyl)pyridin-2-amine
CID 23541253
2,4-dimethyl-1-[[3-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol
CID 66180973
N-(2-cyclohexylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 63536770
2-(methylamino)-1-[4-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 110095876
3-[[3-(trifluoromethyl)-2-pyridinyl]amino]propane-1,2-diol
CID 66177550
3-methyl-2-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]butanoic acid
CID 65226846

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanone?
The IUPAC name of 1-piperidin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanone (CID 115677839) is 1-piperidin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanone.
What is the SMILES notation for 1-piperidin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanone?
The canonical SMILES for 1-piperidin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanone is O=C(CNc1ncccc1C(F)(F)F)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanone?
The InChIKey is TYAXNAPRKMTPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O/c14-13(15,16)10-5-4-6-17-12(10)18-9-11(20)19-7-2-1-3-8-19/h4-6H,1-3,7-9H2,(H,17,18).
What are the key properties of 1-piperidin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanone?
1-piperidin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanone has a molecular weight of 287.28 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanone is sourced from PubChem (CID 115677839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).