5-bromo-2-[methyl(piperidin-3-ylmethyl)amino]benzamide

C14H20BrN3O — CID 106642759

IUPAC5-bromo-2-[methyl(piperidin-3-ylmethyl)amino]benzamide
SMILESCN(CC1CCCNC1)c1ccc(Br)cc1C(N)=O
InChIInChI=1S/C14H20BrN3O/c1-18(9-10-3-2-6-17-8-10)13-5-4-11(15)7-12(13)14(16)19/h4-5,7,10,17H,2-3,6,8-9H2,1H3,(H2,16,19)
InChIKeyUEEFLWUODWPBTK-UHFFFAOYSA-N
MW326.24 g/mol
LogP1.98
Rot. Bonds4

About 5-bromo-2-[methyl(piperidin-3-ylmethyl)amino]benzamide

5-bromo-2-[methyl(piperidin-3-ylmethyl)amino]benzamide (PubChem CID 106642759) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is 5-bromo-2-[methyl(piperidin-3-ylmethyl)amino]benzamide.

Molecular Properties

Compound Name5-bromo-2-[methyl(piperidin-3-ylmethyl)amino]benzamide
PubChem CID106642759
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name5-bromo-2-[methyl(piperidin-3-ylmethyl)amino]benzamide
SMILESCN(CC1CCCNC1)c1ccc(Br)cc1C(N)=O
InChIInChI=1S/C14H20BrN3O/c1-18(9-10-3-2-6-17-8-10)13-5-4-11(15)7-12(13)14(16)19/h4-5,7,10,17H,2-3,6,8-9H2,1H3,(H2,16,19)
InChIKeyUEEFLWUODWPBTK-UHFFFAOYSA-N
XLogP1.98
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-[methyl(piperidin-4-ylmethyl)amino]benzamide
CID 114894118
4-chloro-2-[methyl(piperidin-3-ylmethyl)amino]benzamide
CID 106642701
4-bromo-2-[cyclopropyl(piperidin-3-ylmethyl)amino]benzamide
CID 106643830
5-bromo-2-[methyl(piperidin-3-ylmethyl)amino]benzonitrile
CID 106642648
5-bromo-2-fluoro-N-methyl-N-(piperidin-3-ylmethyl)aniline
CID 115209597
5-bromo-2-[ethyl(piperidin-3-yl)amino]benzamide
CID 114893995
1-[5-bromo-2-[cyclohexylmethyl(methyl)amino]phenyl]ethanone
CID 82967364
2,4-dibromo-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 107940298
5-bromo-2-(piperidin-3-ylmethylamino)benzamide
CID 114893913
2,5-dibromo-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide
CID 106628749
5-bromo-2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106620042
5-bromo-2-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide
CID 106628689

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[methyl(piperidin-3-ylmethyl)amino]benzamide?
The IUPAC name of 5-bromo-2-[methyl(piperidin-3-ylmethyl)amino]benzamide (CID 106642759) is 5-bromo-2-[methyl(piperidin-3-ylmethyl)amino]benzamide.
What is the SMILES notation for 5-bromo-2-[methyl(piperidin-3-ylmethyl)amino]benzamide?
The canonical SMILES for 5-bromo-2-[methyl(piperidin-3-ylmethyl)amino]benzamide is CN(CC1CCCNC1)c1ccc(Br)cc1C(N)=O.
What is the InChIKey of 5-bromo-2-[methyl(piperidin-3-ylmethyl)amino]benzamide?
The InChIKey is UEEFLWUODWPBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-18(9-10-3-2-6-17-8-10)13-5-4-11(15)7-12(13)14(16)19/h4-5,7,10,17H,2-3,6,8-9H2,1H3,(H2,16,19).
What are the key properties of 5-bromo-2-[methyl(piperidin-3-ylmethyl)amino]benzamide?
5-bromo-2-[methyl(piperidin-3-ylmethyl)amino]benzamide has a molecular weight of 326.24 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[methyl(piperidin-3-ylmethyl)amino]benzamide is sourced from PubChem (CID 106642759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).