N-(1-acetylpiperidin-4-yl)-4-bromo-2-methoxybenzamide

C15H19BrN2O3 — CID 78988011

IUPACN-(1-acetylpiperidin-4-yl)-4-bromo-2-methoxybenzamide
SMILESCOc1cc(Br)ccc1C(=O)NC1CCN(C(C)=O)CC1
InChIInChI=1S/C15H19BrN2O3/c1-10(19)18-7-5-12(6-8-18)17-15(20)13-4-3-11(16)9-14(13)21-2/h3-4,9,12H,5-8H2,1-2H3,(H,17,20)
InChIKeyGXSUEZHEMJHEDZ-UHFFFAOYSA-N
MW355.23 g/mol
LogP2.20
Rot. Bonds3

About N-(1-acetylpiperidin-4-yl)-4-bromo-2-methoxybenzamide

N-(1-acetylpiperidin-4-yl)-4-bromo-2-methoxybenzamide (PubChem CID 78988011) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-4-bromo-2-methoxybenzamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-4-bromo-2-methoxybenzamide
PubChem CID78988011
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC NameN-(1-acetylpiperidin-4-yl)-4-bromo-2-methoxybenzamide
SMILESCOc1cc(Br)ccc1C(=O)NC1CCN(C(C)=O)CC1
InChIInChI=1S/C15H19BrN2O3/c1-10(19)18-7-5-12(6-8-18)17-15(20)13-4-3-11(16)9-14(13)21-2/h3-4,9,12H,5-8H2,1-2H3,(H,17,20)
InChIKeyGXSUEZHEMJHEDZ-UHFFFAOYSA-N
XLogP2.20
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(3,5-dimethylcyclohexyl)-2-methoxybenzamide
CID 115369287
1-[4-(4-bromo-2-methoxybenzoyl)piperazin-1-yl]ethanone
CID 78988680
1-[4-[(5-bromo-2-methoxyphenyl)methylamino]piperidin-1-yl]ethanone
CID 43224255
4-bromo-N-(3-ethylcyclohexyl)-2-methoxybenzamide
CID 115369289
tert-butyl 4-[[4-bromo-2-(difluoromethoxy)benzoyl]amino]piperidine-1-carboxylate
CID 170995670
4-bromo-N-(2,3-dimethylcyclopentyl)-2-methoxybenzamide
CID 115369291
5-bromo-N-(4-hydroxycyclohexyl)-2-methoxybenzamide
CID 115277460
N-cyclopropyl-2,4-dimethoxybenzamide
CID 4576292
2-[(4-bromo-2-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 115368665
2-[(4-bromo-2-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 115368666
N-acetyl-4-bromo-2-methoxybenzamide
CID 115369201
N-cyclopropyl-4-fluoro-2-methoxybenzamide
CID 162421278

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-4-bromo-2-methoxybenzamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-4-bromo-2-methoxybenzamide (CID 78988011) is N-(1-acetylpiperidin-4-yl)-4-bromo-2-methoxybenzamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-4-bromo-2-methoxybenzamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-4-bromo-2-methoxybenzamide is COc1cc(Br)ccc1C(=O)NC1CCN(C(C)=O)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-4-bromo-2-methoxybenzamide?
The InChIKey is GXSUEZHEMJHEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c1-10(19)18-7-5-12(6-8-18)17-15(20)13-4-3-11(16)9-14(13)21-2/h3-4,9,12H,5-8H2,1-2H3,(H,17,20).
What are the key properties of N-(1-acetylpiperidin-4-yl)-4-bromo-2-methoxybenzamide?
N-(1-acetylpiperidin-4-yl)-4-bromo-2-methoxybenzamide has a molecular weight of 355.23 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-4-bromo-2-methoxybenzamide is sourced from PubChem (CID 78988011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).