5-bromo-2-[methyl(piperidin-4-ylmethyl)amino]benzamide

C14H20BrN3O — CID 114894118

IUPAC5-bromo-2-[methyl(piperidin-4-ylmethyl)amino]benzamide
SMILESCN(CC1CCNCC1)c1ccc(Br)cc1C(N)=O
InChIInChI=1S/C14H20BrN3O/c1-18(9-10-4-6-17-7-5-10)13-3-2-11(15)8-12(13)14(16)19/h2-3,8,10,17H,4-7,9H2,1H3,(H2,16,19)
InChIKeySSRFDKDQIAVWHG-UHFFFAOYSA-N
MW326.24 g/mol
LogP1.98
Rot. Bonds4

About 5-bromo-2-[methyl(piperidin-4-ylmethyl)amino]benzamide

5-bromo-2-[methyl(piperidin-4-ylmethyl)amino]benzamide (PubChem CID 114894118) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is 5-bromo-2-[methyl(piperidin-4-ylmethyl)amino]benzamide.

Molecular Properties

Compound Name5-bromo-2-[methyl(piperidin-4-ylmethyl)amino]benzamide
PubChem CID114894118
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name5-bromo-2-[methyl(piperidin-4-ylmethyl)amino]benzamide
SMILESCN(CC1CCNCC1)c1ccc(Br)cc1C(N)=O
InChIInChI=1S/C14H20BrN3O/c1-18(9-10-4-6-17-7-5-10)13-3-2-11(15)8-12(13)14(16)19/h2-3,8,10,17H,4-7,9H2,1H3,(H2,16,19)
InChIKeySSRFDKDQIAVWHG-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-3-ylmethyl)amino]benzamide
CID 106642759
4-bromo-2-[ethyl(piperidin-4-ylmethyl)amino]benzamide
CID 114905646
1-[5-bromo-2-[cyclohexylmethyl(methyl)amino]phenyl]ethanone
CID 82967364
5-bromo-2-hydroxy-N-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 107729991
5-bromo-2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106620042
3-(4-bromo-2-carbamoyl-N-methylanilino)propanoic acid
CID 114890015
5-fluoro-2-[piperidin-4-ylmethyl(propan-2-yl)amino]benzamide
CID 79704767
4-bromo-1-N-(cyclopropylmethyl)-1-N-methylbenzene-1,2-diamine
CID 60985000
2-[cyclopropyl(piperidin-4-ylmethyl)amino]-5-fluorobenzamide
CID 79703797
5-bromo-2-[ethyl(piperidin-3-yl)amino]benzamide
CID 114893995
5-bromo-2-chloro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 79702221
1-[5-bromo-2-[cyclopropylmethyl(ethyl)amino]phenyl]ethanone
CID 82966661

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[methyl(piperidin-4-ylmethyl)amino]benzamide?
The IUPAC name of 5-bromo-2-[methyl(piperidin-4-ylmethyl)amino]benzamide (CID 114894118) is 5-bromo-2-[methyl(piperidin-4-ylmethyl)amino]benzamide.
What is the SMILES notation for 5-bromo-2-[methyl(piperidin-4-ylmethyl)amino]benzamide?
The canonical SMILES for 5-bromo-2-[methyl(piperidin-4-ylmethyl)amino]benzamide is CN(CC1CCNCC1)c1ccc(Br)cc1C(N)=O.
What is the InChIKey of 5-bromo-2-[methyl(piperidin-4-ylmethyl)amino]benzamide?
The InChIKey is SSRFDKDQIAVWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-18(9-10-4-6-17-7-5-10)13-3-2-11(15)8-12(13)14(16)19/h2-3,8,10,17H,4-7,9H2,1H3,(H2,16,19).
What are the key properties of 5-bromo-2-[methyl(piperidin-4-ylmethyl)amino]benzamide?
5-bromo-2-[methyl(piperidin-4-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-4-ylmethyl)amino]benzamide is sourced from PubChem (CID 114894118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).