3-bromo-4-[ethyl(piperidin-2-ylmethyl)amino]benzamide

C15H22BrN3O — CID 106641907

IUPAC3-bromo-4-[ethyl(piperidin-2-ylmethyl)amino]benzamide
SMILESCCN(CC1CCCCN1)c1ccc(C(N)=O)cc1Br
InChIInChI=1S/C15H22BrN3O/c1-2-19(10-12-5-3-4-8-18-12)14-7-6-11(15(17)20)9-13(14)16/h6-7,9,12,18H,2-5,8,10H2,1H3,(H2,17,20)
InChIKeyWQBXAPLHEDJZKP-UHFFFAOYSA-N
MW340.26 g/mol
LogP2.52
Rot. Bonds5

About 3-bromo-4-[ethyl(piperidin-2-ylmethyl)amino]benzamide

3-bromo-4-[ethyl(piperidin-2-ylmethyl)amino]benzamide (PubChem CID 106641907) has the molecular formula C15H22BrN3O and a molecular weight of 340.26 g/mol. Its IUPAC name is 3-bromo-4-[ethyl(piperidin-2-ylmethyl)amino]benzamide.

Molecular Properties

Compound Name3-bromo-4-[ethyl(piperidin-2-ylmethyl)amino]benzamide
PubChem CID106641907
Molecular FormulaC15H22BrN3O
Molecular Weight340.26 g/mol
Exact Mass339.09
IUPAC Name3-bromo-4-[ethyl(piperidin-2-ylmethyl)amino]benzamide
SMILESCCN(CC1CCCCN1)c1ccc(C(N)=O)cc1Br
InChIInChI=1S/C15H22BrN3O/c1-2-19(10-12-5-3-4-8-18-12)14-7-6-11(15(17)20)9-13(14)16/h6-7,9,12,18H,2-5,8,10H2,1H3,(H2,17,20)
InChIKeyWQBXAPLHEDJZKP-UHFFFAOYSA-N
XLogP2.52
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-bromo-4-[ethyl(piperidin-2-ylmethyl)amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[ethyl(pyrrolidin-2-ylmethyl)amino]-3-fluorobenzamide
CID 106619510
2-[piperidin-2-ylmethyl(propyl)amino]pyridine-4-carboxamide
CID 106642290
2-(2-bromo-4-carbamoyl-N-ethylanilino)acetic acid
CID 82798099
3-fluoro-4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106621481
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-5-nitrobenzamide
CID 106619376
4-bromo-N-ethyl-N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)aniline
CID 106641749
4-[(4-aminophenyl)methyl-ethylamino]-3-bromobenzamide
CID 82789748
4-bromo-N-ethyl-3-methyl-N-(piperidin-2-ylmethyl)benzamide
CID 106626185
4-[[2-(aminomethyl)cyclohexyl]-ethylamino]-3-bromobenzamide
CID 82789401
3-bromo-4-[ethyl(pyrrolidin-3-yl)amino]benzamide
CID 82808855
3-(2-bromo-4-carbamoyl-N-ethylanilino)-2-methylpropanoic acid
CID 82798469
4-[piperidin-2-ylmethyl(propan-2-yl)amino]benzamide
CID 106641317

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[ethyl(piperidin-2-ylmethyl)amino]benzamide?
The IUPAC name of 3-bromo-4-[ethyl(piperidin-2-ylmethyl)amino]benzamide (CID 106641907) is 3-bromo-4-[ethyl(piperidin-2-ylmethyl)amino]benzamide.
What is the SMILES notation for 3-bromo-4-[ethyl(piperidin-2-ylmethyl)amino]benzamide?
The canonical SMILES for 3-bromo-4-[ethyl(piperidin-2-ylmethyl)amino]benzamide is CCN(CC1CCCCN1)c1ccc(C(N)=O)cc1Br.
What is the InChIKey of 3-bromo-4-[ethyl(piperidin-2-ylmethyl)amino]benzamide?
The InChIKey is WQBXAPLHEDJZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O/c1-2-19(10-12-5-3-4-8-18-12)14-7-6-11(15(17)20)9-13(14)16/h6-7,9,12,18H,2-5,8,10H2,1H3,(H2,17,20).
What are the key properties of 3-bromo-4-[ethyl(piperidin-2-ylmethyl)amino]benzamide?
3-bromo-4-[ethyl(piperidin-2-ylmethyl)amino]benzamide has a molecular weight of 340.26 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[ethyl(piperidin-2-ylmethyl)amino]benzamide is sourced from PubChem (CID 106641907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).