N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-5-fluoro-2-iodobenzamide

C17H25FIN3O — CID 86949707

IUPACN-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-5-fluoro-2-iodobenzamide
SMILESCN(C)CCN1CCC(CNC(=O)c2cc(F)ccc2I)CC1
InChIInChI=1S/C17H25FIN3O/c1-21(2)9-10-22-7-5-13(6-8-22)12-20-17(23)15-11-14(18)3-4-16(15)19/h3-4,11,13H,5-10,12H2,1-2H3,(H,20,23)
InChIKeyHXIAFJBCJOWWLK-UHFFFAOYSA-N
MW433.31 g/mol
LogP2.43
Rot. Bonds6

About N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-5-fluoro-2-iodobenzamide

N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-5-fluoro-2-iodobenzamide (PubChem CID 86949707) has the molecular formula C17H25FIN3O and a molecular weight of 433.31 g/mol. Its IUPAC name is N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-5-fluoro-2-iodobenzamide.

Molecular Properties

Compound NameN-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-5-fluoro-2-iodobenzamide
PubChem CID86949707
Molecular FormulaC17H25FIN3O
Molecular Weight433.31 g/mol
Exact Mass433.10
IUPAC NameN-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-5-fluoro-2-iodobenzamide
SMILESCN(C)CCN1CCC(CNC(=O)c2cc(F)ccc2I)CC1
InChIInChI=1S/C17H25FIN3O/c1-21(2)9-10-22-7-5-13(6-8-22)12-20-17(23)15-11-14(18)3-4-16(15)19/h3-4,11,13H,5-10,12H2,1-2H3,(H,20,23)
InChIKeyHXIAFJBCJOWWLK-UHFFFAOYSA-N
XLogP2.43
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-iodo-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide
CID 60616293
N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-1-benzofuran-3-carboxamide
CID 126768915
N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 47085944
5-fluoro-2-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 95155012
2-amino-N-(cyclohexylmethyl)-5-fluorobenzamide
CID 43371580
3-fluoro-N-[[1-(2-oxoethyl)piperidin-4-yl]methyl]benzamide
CID 134423135
2-amino-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-2-phenylpropanamide
CID 120595902
2,5-difluoro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 47036202
(2-bromo-5-fluorophenyl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 60698518
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-fluoro-2-iodobenzamide
CID 60616328
N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 86949699
N-[[1-[1-[4-[4-(dimethylamino)butoxy]-2,3-dimethylphenyl]ethyl]azetidin-3-yl]methyl]-2,5-difluorobenzamide
CID 71124750

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-5-fluoro-2-iodobenzamide?
The IUPAC name of N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-5-fluoro-2-iodobenzamide (CID 86949707) is N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-5-fluoro-2-iodobenzamide.
What is the SMILES notation for N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-5-fluoro-2-iodobenzamide?
The canonical SMILES for N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-5-fluoro-2-iodobenzamide is CN(C)CCN1CCC(CNC(=O)c2cc(F)ccc2I)CC1.
What is the InChIKey of N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-5-fluoro-2-iodobenzamide?
The InChIKey is HXIAFJBCJOWWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FIN3O/c1-21(2)9-10-22-7-5-13(6-8-22)12-20-17(23)15-11-14(18)3-4-16(15)19/h3-4,11,13H,5-10,12H2,1-2H3,(H,20,23).
What are the key properties of N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-5-fluoro-2-iodobenzamide?
N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-5-fluoro-2-iodobenzamide has a molecular weight of 433.31 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-5-fluoro-2-iodobenzamide is sourced from PubChem (CID 86949707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).