3-iodo-N-[(1-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzamide

C15H18F3IN2O — CID 86886749

IUPAC3-iodo-N-[(1-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzamide
SMILESCN1CCC(CNC(=O)c2cc(I)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H18F3IN2O/c1-21-4-2-10(3-5-21)9-20-14(22)11-6-12(15(16,17)18)8-13(19)7-11/h6-8,10H,2-5,9H2,1H3,(H,20,22)
InChIKeyAXJRLFUMPDWSGH-UHFFFAOYSA-N
MW426.22 g/mol
LogP3.38
Rot. Bonds3

About 3-iodo-N-[(1-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzamide

3-iodo-N-[(1-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzamide (PubChem CID 86886749) has the molecular formula C15H18F3IN2O and a molecular weight of 426.22 g/mol. Its IUPAC name is 3-iodo-N-[(1-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-iodo-N-[(1-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzamide
PubChem CID86886749
Molecular FormulaC15H18F3IN2O
Molecular Weight426.22 g/mol
Exact Mass426.04
IUPAC Name3-iodo-N-[(1-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzamide
SMILESCN1CCC(CNC(=O)c2cc(I)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H18F3IN2O/c1-21-4-2-10(3-5-21)9-20-14(22)11-6-12(15(16,17)18)8-13(19)7-11/h6-8,10H,2-5,9H2,1H3,(H,20,22)
InChIKeyAXJRLFUMPDWSGH-UHFFFAOYSA-N
XLogP3.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.22
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-N-[(1-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzamide
CID 134422953
N-[(1-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)benzamide
CID 16895340
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 60598298
3,5-dihydroxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 104938964
N-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-3,5-bis(trifluoromethyl)benzamide
CID 123412557
3-iodo-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)benzamide;hydrochloride
CID 119512777
4-amino-3,5-difluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 63185576
5-iodo-N-[(1-methylpiperidin-4-yl)methyl]thiophene-3-carboxamide
CID 78949608
N-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 44540145
N-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]-3-(iodomethyl)-5-(trifluoromethyl)benzamide
CID 89410604
3-bromo-5-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 104852574
N-(2-aminoethyl)-3-iodo-5-(trifluoromethyl)benzamide
CID 119384158

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-[(1-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 3-iodo-N-[(1-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzamide (CID 86886749) is 3-iodo-N-[(1-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-iodo-N-[(1-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 3-iodo-N-[(1-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzamide is CN1CCC(CNC(=O)c2cc(I)cc(C(F)(F)F)c2)CC1.
What is the InChIKey of 3-iodo-N-[(1-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzamide?
The InChIKey is AXJRLFUMPDWSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3IN2O/c1-21-4-2-10(3-5-21)9-20-14(22)11-6-12(15(16,17)18)8-13(19)7-11/h6-8,10H,2-5,9H2,1H3,(H,20,22).
What are the key properties of 3-iodo-N-[(1-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzamide?
3-iodo-N-[(1-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzamide has a molecular weight of 426.22 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-[(1-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 86886749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).