2-(3-bromo-2-methylindol-1-yl)-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide

C19H24BrN3O2 — CID 55853850

IUPAC2-(3-bromo-2-methylindol-1-yl)-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide
SMILESCc1c(Br)c2ccccc2n1CC(=O)NCCC(=O)N1CCCCC1
InChIInChI=1S/C19H24BrN3O2/c1-14-19(20)15-7-3-4-8-16(15)23(14)13-17(24)21-10-9-18(25)22-11-5-2-6-12-22/h3-4,7-8H,2,5-6,9-13H2,1H3,(H,21,24)
InChIKeyGFECBAMSBJVODN-UHFFFAOYSA-N
MW406.32 g/mol
LogP3.23
Rot. Bonds5

About 2-(3-bromo-2-methylindol-1-yl)-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide

2-(3-bromo-2-methylindol-1-yl)-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide (PubChem CID 55853850) has the molecular formula C19H24BrN3O2 and a molecular weight of 406.32 g/mol. Its IUPAC name is 2-(3-bromo-2-methylindol-1-yl)-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(3-bromo-2-methylindol-1-yl)-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide
PubChem CID55853850
Molecular FormulaC19H24BrN3O2
Molecular Weight406.32 g/mol
Exact Mass405.11
IUPAC Name2-(3-bromo-2-methylindol-1-yl)-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide
SMILESCc1c(Br)c2ccccc2n1CC(=O)NCCC(=O)N1CCCCC1
InChIInChI=1S/C19H24BrN3O2/c1-14-19(20)15-7-3-4-8-16(15)23(14)13-17(24)21-10-9-18(25)22-11-5-2-6-12-22/h3-4,7-8H,2,5-6,9-13H2,1H3,(H,21,24)
InChIKeyGFECBAMSBJVODN-UHFFFAOYSA-N
XLogP3.23
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.32
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-2-methylindol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 47049412
1-[2-(3-bromo-2-methylindol-1-yl)acetyl]-N-cyclopropylpiperidine-3-carboxamide
CID 49403554
2-(3-bromo-2-methylindol-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 47049057
2-(3-bromo-2-methylindol-1-yl)-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]acetamide
CID 166306203
1-[[2-(3-bromo-2-methylindol-1-yl)acetyl]amino]-3-methylurea
CID 47383615
2-carbazol-9-yl-1-pyrrolidin-1-ylethanone
CID 67925935
1-[4-[2-(3-bromo-2-methylindol-1-yl)acetyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 52660719
2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
CID 51254966
2-(3-acetyl-2-methylindol-1-yl)-1-piperidin-1-ylethanone
CID 3159855
2-[[2-(3-bromo-2-methylindol-1-yl)acetyl]amino]propanoic acid
CID 119225645
2-(3-bromo-2-methylindol-1-yl)-N-[2-(methanesulfonamido)phenyl]acetamide
CID 52714750
N-(1H-benzimidazol-2-ylmethyl)-2-(3-bromo-2-methylindol-1-yl)acetamide
CID 60520299

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-methylindol-1-yl)-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide?
The IUPAC name of 2-(3-bromo-2-methylindol-1-yl)-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide (CID 55853850) is 2-(3-bromo-2-methylindol-1-yl)-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(3-bromo-2-methylindol-1-yl)-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide?
The canonical SMILES for 2-(3-bromo-2-methylindol-1-yl)-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide is Cc1c(Br)c2ccccc2n1CC(=O)NCCC(=O)N1CCCCC1.
What is the InChIKey of 2-(3-bromo-2-methylindol-1-yl)-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide?
The InChIKey is GFECBAMSBJVODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN3O2/c1-14-19(20)15-7-3-4-8-16(15)23(14)13-17(24)21-10-9-18(25)22-11-5-2-6-12-22/h3-4,7-8H,2,5-6,9-13H2,1H3,(H,21,24).
What are the key properties of 2-(3-bromo-2-methylindol-1-yl)-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide?
2-(3-bromo-2-methylindol-1-yl)-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide has a molecular weight of 406.32 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-methylindol-1-yl)-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide is sourced from PubChem (CID 55853850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).