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

C15H22BrN3O — CID 114905646

IUPAC4-bromo-2-[ethyl(piperidin-4-ylmethyl)amino]benzamide
SMILESCCN(CC1CCNCC1)c1cc(Br)ccc1C(N)=O
InChIInChI=1S/C15H22BrN3O/c1-2-19(10-11-5-7-18-8-6-11)14-9-12(16)3-4-13(14)15(17)20/h3-4,9,11,18H,2,5-8,10H2,1H3,(H2,17,20)
InChIKeyUYZYYCZJXMIKOQ-UHFFFAOYSA-N
MW340.26 g/mol
LogP2.37
Rot. Bonds5

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

4-bromo-2-[ethyl(piperidin-4-ylmethyl)amino]benzamide (PubChem CID 114905646) has the molecular formula C15H22BrN3O and a molecular weight of 340.26 g/mol. Its IUPAC name is 4-bromo-2-[ethyl(piperidin-4-ylmethyl)amino]benzamide.

Molecular Properties

Compound Name4-bromo-2-[ethyl(piperidin-4-ylmethyl)amino]benzamide
PubChem CID114905646
Molecular FormulaC15H22BrN3O
Molecular Weight340.26 g/mol
Exact Mass339.09
IUPAC Name4-bromo-2-[ethyl(piperidin-4-ylmethyl)amino]benzamide
SMILESCCN(CC1CCNCC1)c1cc(Br)ccc1C(N)=O
InChIInChI=1S/C15H22BrN3O/c1-2-19(10-11-5-7-18-8-6-11)14-9-12(16)3-4-13(14)15(17)20/h3-4,9,11,18H,2,5-8,10H2,1H3,(H2,17,20)
InChIKeyUYZYYCZJXMIKOQ-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
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
5-bromo-N-ethyl-2-nitro-N-(piperidin-4-ylmethyl)aniline
CID 79720247
1-[5-bromo-2-[cyclopropylmethyl(ethyl)amino]phenyl]ethanone
CID 82966661
4-bromo-2-[propyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106619754
4-[ethyl(piperidin-4-ylmethyl)amino]-2,6-dimethylpyridine-3-carboxamide
CID 81035524
4-bromo-2-[cyclopropyl(piperidin-3-ylmethyl)amino]benzamide
CID 106643830
2-bromo-6-[piperidin-4-ylmethyl(propyl)amino]benzamide
CID 114884942
5-bromo-2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106620042
5-bromo-2-(bromomethyl)-N-(cyclopropylmethyl)-N-ethylaniline
CID 107083804
2-(1-aminoethyl)-5-bromo-N-(cyclopropylmethyl)-N-ethylaniline
CID 82967886
5-bromo-2-hydroxy-N-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 107729991
5-bromo-N-(cyclopropylmethyl)-N-ethyl-2-(ethylaminomethyl)aniline
CID 63956035

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[ethyl(piperidin-4-ylmethyl)amino]benzamide?
The IUPAC name of 4-bromo-2-[ethyl(piperidin-4-ylmethyl)amino]benzamide (CID 114905646) is 4-bromo-2-[ethyl(piperidin-4-ylmethyl)amino]benzamide.
What is the SMILES notation for 4-bromo-2-[ethyl(piperidin-4-ylmethyl)amino]benzamide?
The canonical SMILES for 4-bromo-2-[ethyl(piperidin-4-ylmethyl)amino]benzamide is CCN(CC1CCNCC1)c1cc(Br)ccc1C(N)=O.
What is the InChIKey of 4-bromo-2-[ethyl(piperidin-4-ylmethyl)amino]benzamide?
The InChIKey is UYZYYCZJXMIKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O/c1-2-19(10-11-5-7-18-8-6-11)14-9-12(16)3-4-13(14)15(17)20/h3-4,9,11,18H,2,5-8,10H2,1H3,(H2,17,20).
What are the key properties of 4-bromo-2-[ethyl(piperidin-4-ylmethyl)amino]benzamide?
4-bromo-2-[ethyl(piperidin-4-ylmethyl)amino]benzamide has a molecular weight of 340.26 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[ethyl(piperidin-4-ylmethyl)amino]benzamide is sourced from PubChem (CID 114905646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).