5-bromo-2-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzamide

C15H19BrN2O3 — CID 110633453

IUPAC5-bromo-2-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
SMILESCOc1ccc(Br)cc1C(=O)NCC(=O)N1CCCCC1
InChIInChI=1S/C15H19BrN2O3/c1-21-13-6-5-11(16)9-12(13)15(20)17-10-14(19)18-7-3-2-4-8-18/h5-6,9H,2-4,7-8,10H2,1H3,(H,17,20)
InChIKeyNQSDGDXPXLRIDB-UHFFFAOYSA-N
MW355.23 g/mol
LogP2.20
Rot. Bonds4

About 5-bromo-2-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzamide

5-bromo-2-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzamide (PubChem CID 110633453) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
PubChem CID110633453
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC Name5-bromo-2-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
SMILESCOc1ccc(Br)cc1C(=O)NCC(=O)N1CCCCC1
InChIInChI=1S/C15H19BrN2O3/c1-21-13-6-5-11(16)9-12(13)15(20)17-10-14(19)18-7-3-2-4-8-18/h5-6,9H,2-4,7-8,10H2,1H3,(H,17,20)
InChIKeyNQSDGDXPXLRIDB-UHFFFAOYSA-N
XLogP2.20
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

2-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 36866031
5-bromo-2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 112683751
5-bromo-N-[8-[(5-bromo-2-methoxybenzoyl)amino]octyl]-2-methoxybenzamide
CID 17233433
2-(4-bromo-2-methoxyphenyl)-1-pyrrolidin-1-ylethanone
CID 155293571
2-methoxy-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-phenylbenzamide
CID 110605924
5-bromo-N-(3-hydroxy-2-methylpropyl)-2-methoxybenzamide
CID 113278453
3,5-dibromo-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 103908567
N-[2-(azepan-1-yl)-2-oxoethyl]-3,5-dimethoxybenzamide
CID 26500774
(4-bromo-2-methoxyphenyl)-piperidin-1-ylmethanone
CID 78988655
2-(4-bromophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 110712327
3-bromo-4-methoxy-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 110605845
1-(azetidin-1-yl)-2-(4-bromo-2-methoxyphenyl)ethanone
CID 155293575

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzamide?
The IUPAC name of 5-bromo-2-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzamide (CID 110633453) is 5-bromo-2-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzamide.
What is the SMILES notation for 5-bromo-2-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzamide?
The canonical SMILES for 5-bromo-2-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzamide is COc1ccc(Br)cc1C(=O)NCC(=O)N1CCCCC1.
What is the InChIKey of 5-bromo-2-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzamide?
The InChIKey is NQSDGDXPXLRIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c1-21-13-6-5-11(16)9-12(13)15(20)17-10-14(19)18-7-3-2-4-8-18/h5-6,9H,2-4,7-8,10H2,1H3,(H,17,20).
What are the key properties of 5-bromo-2-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzamide?
5-bromo-2-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzamide has a molecular weight of 355.23 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzamide is sourced from PubChem (CID 110633453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).