3,4,5-trifluoro-N-piperidin-3-ylbenzamide;hydrochloride

C12H14ClF3N2O — CID 119429053

IUPAC3,4,5-trifluoro-N-piperidin-3-ylbenzamide;hydrochloride
SMILESCl.O=C(NC1CCCNC1)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C12H13F3N2O.ClH/c13-9-4-7(5-10(14)11(9)15)12(18)17-8-2-1-3-16-6-8;/h4-5,8,16H,1-3,6H2,(H,17,18);1H
InChIKeyONECGTGQLGIEIV-UHFFFAOYSA-N
MW294.70 g/mol
LogP2.01
Rot. Bonds2

About 3,4,5-trifluoro-N-piperidin-3-ylbenzamide;hydrochloride

3,4,5-trifluoro-N-piperidin-3-ylbenzamide;hydrochloride (PubChem CID 119429053) has the molecular formula C12H14ClF3N2O and a molecular weight of 294.70 g/mol. Its IUPAC name is 3,4,5-trifluoro-N-piperidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name3,4,5-trifluoro-N-piperidin-3-ylbenzamide;hydrochloride
PubChem CID119429053
Molecular FormulaC12H14ClF3N2O
Molecular Weight294.70 g/mol
Exact Mass294.07
IUPAC Name3,4,5-trifluoro-N-piperidin-3-ylbenzamide;hydrochloride
SMILESCl.O=C(NC1CCCNC1)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C12H13F3N2O.ClH/c13-9-4-7(5-10(14)11(9)15)12(18)17-8-2-1-3-16-6-8;/h4-5,8,16H,1-3,6H2,(H,17,18);1H
InChIKeyONECGTGQLGIEIV-UHFFFAOYSA-N
XLogP2.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.70
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-fluoro-N-[(3R)-piperidin-3-yl]benzamide
CID 89423886
3-fluoro-5-methyl-N-[(3S)-piperidin-3-yl]benzamide
CID 99618356
2,3,4,5,6-pentafluoro-N-[(3S)-piperidin-3-yl]benzamide
CID 104982388
4-fluoro-3-methyl-N-[(3R)-piperidin-3-yl]benzamide
CID 95031837
3-bromo-4-fluoro-N-[(3R)-piperidin-3-yl]benzamide
CID 99849634
2,3-difluoro-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428838
3,5-dimethoxy-N-piperidin-3-ylbenzamide;hydrochloride
CID 119424226
3,5-dimethoxy-4-methyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119429058
N-(azepan-3-yl)-3,5-dihydroxybenzamide
CID 107704994
4-bromo-2,6-difluoro-N-[(3S)-piperidin-3-yl]benzamide
CID 103866610
N-piperidin-3-ylbenzamide
CID 22017045
N-(azepan-3-yl)-3-bromo-4-fluorobenzamide
CID 114020396

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trifluoro-N-piperidin-3-ylbenzamide;hydrochloride?
The IUPAC name of 3,4,5-trifluoro-N-piperidin-3-ylbenzamide;hydrochloride (CID 119429053) is 3,4,5-trifluoro-N-piperidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for 3,4,5-trifluoro-N-piperidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for 3,4,5-trifluoro-N-piperidin-3-ylbenzamide;hydrochloride is Cl.O=C(NC1CCCNC1)c1cc(F)c(F)c(F)c1.
What is the InChIKey of 3,4,5-trifluoro-N-piperidin-3-ylbenzamide;hydrochloride?
The InChIKey is ONECGTGQLGIEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O.ClH/c13-9-4-7(5-10(14)11(9)15)12(18)17-8-2-1-3-16-6-8;/h4-5,8,16H,1-3,6H2,(H,17,18);1H.
What are the key properties of 3,4,5-trifluoro-N-piperidin-3-ylbenzamide;hydrochloride?
3,4,5-trifluoro-N-piperidin-3-ylbenzamide;hydrochloride has a molecular weight of 294.70 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trifluoro-N-piperidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119429053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).