2,3,4,5,6-pentafluoro-N-[(3S)-piperidin-3-yl]benzamide

C12H11F5N2O — CID 104982388

IUPAC2,3,4,5,6-pentafluoro-N-[(3S)-piperidin-3-yl]benzamide
SMILESO=C(N[C@H]1CCCNC1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H11F5N2O/c13-7-6(8(14)10(16)11(17)9(7)15)12(20)19-5-2-1-3-18-4-5/h5,18H,1-4H2,(H,19,20)/t5-/m0/s1
InChIKeySHUFLTYQLRBRFU-YFKPBYRVSA-N
MW294.22 g/mol
LogP1.86
Rot. Bonds2

About 2,3,4,5,6-pentafluoro-N-[(3S)-piperidin-3-yl]benzamide

2,3,4,5,6-pentafluoro-N-[(3S)-piperidin-3-yl]benzamide (PubChem CID 104982388) has the molecular formula C12H11F5N2O and a molecular weight of 294.22 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluoro-N-[(3S)-piperidin-3-yl]benzamide.

Molecular Properties

Compound Name2,3,4,5,6-pentafluoro-N-[(3S)-piperidin-3-yl]benzamide
PubChem CID104982388
Molecular FormulaC12H11F5N2O
Molecular Weight294.22 g/mol
Exact Mass294.08
IUPAC Name2,3,4,5,6-pentafluoro-N-[(3S)-piperidin-3-yl]benzamide
SMILESO=C(N[C@H]1CCCNC1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H11F5N2O/c13-7-6(8(14)10(16)11(17)9(7)15)12(20)19-5-2-1-3-18-4-5/h5,18H,1-4H2,(H,19,20)/t5-/m0/s1
InChIKeySHUFLTYQLRBRFU-YFKPBYRVSA-N
XLogP1.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.22
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2,6-difluoro-N-[(3S)-piperidin-3-yl]benzamide
CID 103866610
N-cyclohexyl-2,3,4,5,6-pentafluorobenzamide
CID 607051
2-fluoro-6-hydroxy-N-[(3S)-piperidin-3-yl]benzamide
CID 107016089
3,4,5-trifluoro-N-piperidin-3-ylbenzamide;hydrochloride
CID 119429053
2,6-dimethyl-N-piperidin-3-ylbenzamide
CID 114025985
2,3-difluoro-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428838
2,6-dichloro-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428069
3-bromo-4-fluoro-N-[(3R)-piperidin-3-yl]benzamide
CID 99849634
4-fluoro-3-methyl-N-[(3R)-piperidin-3-yl]benzamide
CID 95031837
4-amino-3-fluoro-N-[(3R)-piperidin-3-yl]benzamide
CID 89423886
N-piperidin-3-ylbenzamide
CID 22017045
2,6-difluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689143

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentafluoro-N-[(3S)-piperidin-3-yl]benzamide?
The IUPAC name of 2,3,4,5,6-pentafluoro-N-[(3S)-piperidin-3-yl]benzamide (CID 104982388) is 2,3,4,5,6-pentafluoro-N-[(3S)-piperidin-3-yl]benzamide.
What is the SMILES notation for 2,3,4,5,6-pentafluoro-N-[(3S)-piperidin-3-yl]benzamide?
The canonical SMILES for 2,3,4,5,6-pentafluoro-N-[(3S)-piperidin-3-yl]benzamide is O=C(N[C@H]1CCCNC1)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2,3,4,5,6-pentafluoro-N-[(3S)-piperidin-3-yl]benzamide?
The InChIKey is SHUFLTYQLRBRFU-YFKPBYRVSA-N. The full InChI is InChI=1S/C12H11F5N2O/c13-7-6(8(14)10(16)11(17)9(7)15)12(20)19-5-2-1-3-18-4-5/h5,18H,1-4H2,(H,19,20)/t5-/m0/s1.
What are the key properties of 2,3,4,5,6-pentafluoro-N-[(3S)-piperidin-3-yl]benzamide?
2,3,4,5,6-pentafluoro-N-[(3S)-piperidin-3-yl]benzamide has a molecular weight of 294.22 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentafluoro-N-[(3S)-piperidin-3-yl]benzamide is sourced from PubChem (CID 104982388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).