N-[(1-acetylpiperidin-4-yl)methyl]-2,3,4-trifluorobenzamide

C15H17F3N2O2 — CID 110736173

IUPACN-[(1-acetylpiperidin-4-yl)methyl]-2,3,4-trifluorobenzamide
SMILESCC(=O)N1CCC(CNC(=O)c2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C15H17F3N2O2/c1-9(21)20-6-4-10(5-7-20)8-19-15(22)11-2-3-12(16)14(18)13(11)17/h2-3,10H,4-8H2,1H3,(H,19,22)
InChIKeyHNKKIBYEKWXKES-UHFFFAOYSA-N
MW314.31 g/mol
LogP2.09
Rot. Bonds3

About N-[(1-acetylpiperidin-4-yl)methyl]-2,3,4-trifluorobenzamide

N-[(1-acetylpiperidin-4-yl)methyl]-2,3,4-trifluorobenzamide (PubChem CID 110736173) has the molecular formula C15H17F3N2O2 and a molecular weight of 314.31 g/mol. Its IUPAC name is N-[(1-acetylpiperidin-4-yl)methyl]-2,3,4-trifluorobenzamide.

Molecular Properties

Compound NameN-[(1-acetylpiperidin-4-yl)methyl]-2,3,4-trifluorobenzamide
PubChem CID110736173
Molecular FormulaC15H17F3N2O2
Molecular Weight314.31 g/mol
Exact Mass314.12
IUPAC NameN-[(1-acetylpiperidin-4-yl)methyl]-2,3,4-trifluorobenzamide
SMILESCC(=O)N1CCC(CNC(=O)c2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C15H17F3N2O2/c1-9(21)20-6-4-10(5-7-20)8-19-15(22)11-2-3-12(16)14(18)13(11)17/h2-3,10H,4-8H2,1H3,(H,19,22)
InChIKeyHNKKIBYEKWXKES-UHFFFAOYSA-N
XLogP2.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3,4-trifluoro-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]benzamide
CID 108932810
N-[(4-aminocyclohexyl)methyl]-2,3,4-trifluorobenzamide
CID 106124628
N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-2,3,4-trifluorobenzamide
CID 108935387
N-[(1-acetylpiperidin-4-yl)methyl]-2-methylbenzamide
CID 110736135
2,3,4-trifluoro-N-(pyrrolidin-3-ylmethyl)benzamide
CID 80564595
N-[(1-acetylpiperidin-4-yl)methyl]-2-aminobenzamide;hydrochloride
CID 119945298
N-[(1-acetylpiperidin-4-yl)methyl]-5-[4-(2-aminoethyl)phenoxy]-2-fluorobenzamide
CID 171389634
N-(cyclopentylmethyl)-2,3-difluorobenzamide
CID 62649354
tert-butyl N-[3-oxo-3-[[1-(2,3,4-trifluorobenzoyl)piperidin-4-yl]methylamino]propyl]carbamate
CID 108919405
N-[(2-aminocyclohexyl)methyl]-2,3,4-trifluorobenzamide
CID 79756556
N-[(4-chlorocyclohexyl)methyl]-2,3-difluorobenzamide
CID 114147871
2,3,4-trifluoro-N-(piperidin-2-ylmethyl)benzamide
CID 79749991

Frequently Asked Questions

What is the IUPAC name of N-[(1-acetylpiperidin-4-yl)methyl]-2,3,4-trifluorobenzamide?
The IUPAC name of N-[(1-acetylpiperidin-4-yl)methyl]-2,3,4-trifluorobenzamide (CID 110736173) is N-[(1-acetylpiperidin-4-yl)methyl]-2,3,4-trifluorobenzamide.
What is the SMILES notation for N-[(1-acetylpiperidin-4-yl)methyl]-2,3,4-trifluorobenzamide?
The canonical SMILES for N-[(1-acetylpiperidin-4-yl)methyl]-2,3,4-trifluorobenzamide is CC(=O)N1CCC(CNC(=O)c2ccc(F)c(F)c2F)CC1.
What is the InChIKey of N-[(1-acetylpiperidin-4-yl)methyl]-2,3,4-trifluorobenzamide?
The InChIKey is HNKKIBYEKWXKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O2/c1-9(21)20-6-4-10(5-7-20)8-19-15(22)11-2-3-12(16)14(18)13(11)17/h2-3,10H,4-8H2,1H3,(H,19,22).
What are the key properties of N-[(1-acetylpiperidin-4-yl)methyl]-2,3,4-trifluorobenzamide?
N-[(1-acetylpiperidin-4-yl)methyl]-2,3,4-trifluorobenzamide has a molecular weight of 314.31 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-acetylpiperidin-4-yl)methyl]-2,3,4-trifluorobenzamide is sourced from PubChem (CID 110736173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).