(2R)-2-[(3S)-3-anilinopiperidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide

C16H22F3N3O — CID 97238788

IUPAC(2R)-2-[(3S)-3-anilinopiperidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
SMILESC[C@H](C(=O)NCC(F)(F)F)N1CCC[C@H](Nc2ccccc2)C1
InChIInChI=1S/C16H22F3N3O/c1-12(15(23)20-11-16(17,18)19)22-9-5-8-14(10-22)21-13-6-3-2-4-7-13/h2-4,6-7,12,14,21H,5,8-11H2,1H3,(H,20,23)/t12-,14+/m1/s1
InChIKeyZJOYAYOGCSDAKW-OCCSQVGLSA-N
MW329.37 g/mol
LogP2.63
Rot. Bonds5

About (2R)-2-[(3S)-3-anilinopiperidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide

(2R)-2-[(3S)-3-anilinopiperidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 97238788) has the molecular formula C16H22F3N3O and a molecular weight of 329.37 g/mol. Its IUPAC name is (2R)-2-[(3S)-3-anilinopiperidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(3S)-3-anilinopiperidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID97238788
Molecular FormulaC16H22F3N3O
Molecular Weight329.37 g/mol
Exact Mass329.17
IUPAC Name(2R)-2-[(3S)-3-anilinopiperidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
SMILESC[C@H](C(=O)NCC(F)(F)F)N1CCC[C@H](Nc2ccccc2)C1
InChIInChI=1S/C16H22F3N3O/c1-12(15(23)20-11-16(17,18)19)22-9-5-8-14(10-22)21-13-6-3-2-4-7-13/h2-4,6-7,12,14,21H,5,8-11H2,1H3,(H,20,23)/t12-,14+/m1/s1
InChIKeyZJOYAYOGCSDAKW-OCCSQVGLSA-N
XLogP2.63
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3S)-3-anilinopiperidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of (2R)-2-[(3S)-3-anilinopiperidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide (CID 97238788) is (2R)-2-[(3S)-3-anilinopiperidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for (2R)-2-[(3S)-3-anilinopiperidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for (2R)-2-[(3S)-3-anilinopiperidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide is C[C@H](C(=O)NCC(F)(F)F)N1CCC[C@H](Nc2ccccc2)C1.
What is the InChIKey of (2R)-2-[(3S)-3-anilinopiperidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is ZJOYAYOGCSDAKW-OCCSQVGLSA-N. The full InChI is InChI=1S/C16H22F3N3O/c1-12(15(23)20-11-16(17,18)19)22-9-5-8-14(10-22)21-13-6-3-2-4-7-13/h2-4,6-7,12,14,21H,5,8-11H2,1H3,(H,20,23)/t12-,14+/m1/s1.
What are the key properties of (2R)-2-[(3S)-3-anilinopiperidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide?
(2R)-2-[(3S)-3-anilinopiperidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 329.37 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3S)-3-anilinopiperidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 97238788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).