N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide

C16H21BrN2O3 — CID 41176398

IUPACN-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
SMILESC[C@@H]1CCCCN1CC(=O)Nc1cc2c(cc1Br)OCCO2
InChIInChI=1S/C16H21BrN2O3/c1-11-4-2-3-5-19(11)10-16(20)18-13-9-15-14(8-12(13)17)21-6-7-22-15/h8-9,11H,2-7,10H2,1H3,(H,18,20)/t11-/m1/s1
InChIKeyYGRQYKWTZCDMDL-LLVKDONJSA-N
MW369.26 g/mol
LogP3.03
Rot. Bonds3

About N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide

N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide (PubChem CID 41176398) has the molecular formula C16H21BrN2O3 and a molecular weight of 369.26 g/mol. Its IUPAC name is N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
PubChem CID41176398
Molecular FormulaC16H21BrN2O3
Molecular Weight369.26 g/mol
Exact Mass368.07
IUPAC NameN-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
SMILESC[C@@H]1CCCCN1CC(=O)Nc1cc2c(cc1Br)OCCO2
InChIInChI=1S/C16H21BrN2O3/c1-11-4-2-3-5-19(11)10-16(20)18-13-9-15-14(8-12(13)17)21-6-7-22-15/h8-9,11H,2-7,10H2,1H3,(H,18,20)/t11-/m1/s1
InChIKeyYGRQYKWTZCDMDL-LLVKDONJSA-N
XLogP3.03
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.26
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide with MolForge

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Related Compounds

N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 1439070
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2-methylpiperidin-1-yl)acetamide
CID 655232
N-(2,6-dibromo-4-methylphenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 46801135
2-(4-acetylpiperazin-1-yl)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
CID 24564936
N-(3-bromo-4-methylphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583157
N-(4-bromophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 2655150
N-(2,4-dimethylphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583301
N-(2-methylphenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 7332900
N-[3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-3-oxopropyl]cyclopentanecarboxamide
CID 38807282
N-(2,5-difluorophenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 16554820
N-(2-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583353
N-(4-chloro-2-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583329

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide?
The IUPAC name of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide (CID 41176398) is N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide.
What is the SMILES notation for N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide?
The canonical SMILES for N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide is C[C@@H]1CCCCN1CC(=O)Nc1cc2c(cc1Br)OCCO2.
What is the InChIKey of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide?
The InChIKey is YGRQYKWTZCDMDL-LLVKDONJSA-N. The full InChI is InChI=1S/C16H21BrN2O3/c1-11-4-2-3-5-19(11)10-16(20)18-13-9-15-14(8-12(13)17)21-6-7-22-15/h8-9,11H,2-7,10H2,1H3,(H,18,20)/t11-/m1/s1.
What are the key properties of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide?
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide has a molecular weight of 369.26 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide is sourced from PubChem (CID 41176398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).