N-[(1-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)benzamide

C15H19F3N2O — CID 16895340

IUPACN-[(1-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)benzamide
SMILESCN1CCC(CNC(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C15H19F3N2O/c1-20-8-6-11(7-9-20)10-19-14(21)12-2-4-13(5-3-12)15(16,17)18/h2-5,11H,6-10H2,1H3,(H,19,21)
InChIKeyJCELYYAMKWCFJL-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.78
Rot. Bonds3

About N-[(1-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)benzamide

N-[(1-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)benzamide (PubChem CID 16895340) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is N-[(1-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(1-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)benzamide
PubChem CID16895340
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC NameN-[(1-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)benzamide
SMILESCN1CCC(CNC(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C15H19F3N2O/c1-20-8-6-11(7-9-20)10-19-14(21)12-2-4-13(5-3-12)15(16,17)18/h2-5,11H,6-10H2,1H3,(H,19,21)
InChIKeyJCELYYAMKWCFJL-UHFFFAOYSA-N
XLogP2.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-[(1-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzamide
CID 134422953
3-iodo-N-[(1-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzamide
CID 86886749
4-methoxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 16895310
N-[(4-hydroxycyclohexyl)methyl]-4-(trifluoromethyl)benzamide
CID 106124320
4-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]benzoic acid
CID 54926955
N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]-4-(trifluoromethyl)benzamide
CID 108922184
4-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 16895373
tert-butyl N-[2-oxo-2-[4-[[[4-(trifluoromethyl)benzoyl]amino]methyl]piperidin-1-yl]ethyl]carbamate
CID 108916564
N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-(trifluoromethyl)benzamide
CID 110640583
4-amino-3-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 62682426
3,5-dihydroxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 104938964
6-oxo-N-[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]-1H-pyridine-3-carboxamide
CID 25259629

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)benzamide (CID 16895340) is N-[(1-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(1-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(1-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)benzamide is CN1CCC(CNC(=O)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N-[(1-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)benzamide?
The InChIKey is JCELYYAMKWCFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-20-8-6-11(7-9-20)10-19-14(21)12-2-4-13(5-3-12)15(16,17)18/h2-5,11H,6-10H2,1H3,(H,19,21).
What are the key properties of N-[(1-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)benzamide?
N-[(1-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)benzamide has a molecular weight of 300.32 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 16895340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).