N-methyl-N-piperidin-4-yl-4-(3,4,5-trifluorophenyl)benzamide

C19H19F3N2O — CID 119444616

IUPACN-methyl-N-piperidin-4-yl-4-(3,4,5-trifluorophenyl)benzamide
SMILESCN(C(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1)C1CCNCC1
InChIInChI=1S/C19H19F3N2O/c1-24(15-6-8-23-9-7-15)19(25)13-4-2-12(3-5-13)14-10-16(20)18(22)17(21)11-14/h2-5,10-11,15,23H,6-9H2,1H3
InChIKeyDCJUNTNBZRJFKH-UHFFFAOYSA-N
MW348.37 g/mol
LogP3.59
Rot. Bonds3

About N-methyl-N-piperidin-4-yl-4-(3,4,5-trifluorophenyl)benzamide

N-methyl-N-piperidin-4-yl-4-(3,4,5-trifluorophenyl)benzamide (PubChem CID 119444616) has the molecular formula C19H19F3N2O and a molecular weight of 348.37 g/mol. Its IUPAC name is N-methyl-N-piperidin-4-yl-4-(3,4,5-trifluorophenyl)benzamide.

Molecular Properties

Compound NameN-methyl-N-piperidin-4-yl-4-(3,4,5-trifluorophenyl)benzamide
PubChem CID119444616
Molecular FormulaC19H19F3N2O
Molecular Weight348.37 g/mol
Exact Mass348.14
IUPAC NameN-methyl-N-piperidin-4-yl-4-(3,4,5-trifluorophenyl)benzamide
SMILESCN(C(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1)C1CCNCC1
InChIInChI=1S/C19H19F3N2O/c1-24(15-6-8-23-9-7-15)19(25)13-4-2-12(3-5-13)14-10-16(20)18(22)17(21)11-14/h2-5,10-11,15,23H,6-9H2,1H3
InChIKeyDCJUNTNBZRJFKH-UHFFFAOYSA-N
XLogP3.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 53.59
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

4-chloro-3-fluoro-N-methyl-N-piperidin-4-ylbenzamide
CID 107990085
4-(3,4-difluorophenoxy)-N-methyl-N-piperidin-4-ylbenzamide
CID 119442811
N-(azepan-4-yl)-4-bromo-N-methylbenzamide
CID 104974446
2,3,4-trifluoro-N-methyl-N-piperidin-4-ylbenzamide
CID 79750025
4-isocyano-N-methyl-N-piperidin-4-ylbenzamide
CID 140732667
4-(4-ethylphenyl)-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 21034256
N-methyl-4-(5-methylfuran-2-yl)-N-piperidin-4-ylbenzamide;hydrochloride
CID 154900847
2,4,6-trifluoro-N-methyl-N-piperidin-4-ylbenzamide
CID 65100676
N-(azepan-4-yl)-4-fluoro-3-methoxy-N-methylbenzamide
CID 107172564
2,6-difluoro-N,3-dimethyl-N-piperidin-4-ylbenzamide
CID 82816537
2,4-difluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443342
N,3,5-trimethyl-N-piperidin-4-ylbenzamide
CID 43602069

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-piperidin-4-yl-4-(3,4,5-trifluorophenyl)benzamide?
The IUPAC name of N-methyl-N-piperidin-4-yl-4-(3,4,5-trifluorophenyl)benzamide (CID 119444616) is N-methyl-N-piperidin-4-yl-4-(3,4,5-trifluorophenyl)benzamide.
What is the SMILES notation for N-methyl-N-piperidin-4-yl-4-(3,4,5-trifluorophenyl)benzamide?
The canonical SMILES for N-methyl-N-piperidin-4-yl-4-(3,4,5-trifluorophenyl)benzamide is CN(C(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1)C1CCNCC1.
What is the InChIKey of N-methyl-N-piperidin-4-yl-4-(3,4,5-trifluorophenyl)benzamide?
The InChIKey is DCJUNTNBZRJFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O/c1-24(15-6-8-23-9-7-15)19(25)13-4-2-12(3-5-13)14-10-16(20)18(22)17(21)11-14/h2-5,10-11,15,23H,6-9H2,1H3.
What are the key properties of N-methyl-N-piperidin-4-yl-4-(3,4,5-trifluorophenyl)benzamide?
N-methyl-N-piperidin-4-yl-4-(3,4,5-trifluorophenyl)benzamide has a molecular weight of 348.37 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-piperidin-4-yl-4-(3,4,5-trifluorophenyl)benzamide is sourced from PubChem (CID 119444616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).