[6-bromo-5-methoxy-1-methyl-2-(piperidin-1-ylmethyl)indol-3-yl]-piperidin-1-ylmethanone

C22H30BrN3O2 — CID 5298865

IUPAC[6-bromo-5-methoxy-1-methyl-2-(piperidin-1-ylmethyl)indol-3-yl]-piperidin-1-ylmethanone
SMILESCOc1cc2c(C(=O)N3CCCCC3)c(CN3CCCCC3)n(C)c2cc1Br
InChIInChI=1S/C22H30BrN3O2/c1-24-18-14-17(23)20(28-2)13-16(18)21(22(27)26-11-7-4-8-12-26)19(24)15-25-9-5-3-6-10-25/h13-14H,3-12,15H2,1-2H3
InChIKeyGHRMTRQOIFGTFT-UHFFFAOYSA-N
MW448.41 g/mol
LogP4.56
Rot. Bonds4

About [6-bromo-5-methoxy-1-methyl-2-(piperidin-1-ylmethyl)indol-3-yl]-piperidin-1-ylmethanone

[6-bromo-5-methoxy-1-methyl-2-(piperidin-1-ylmethyl)indol-3-yl]-piperidin-1-ylmethanone (PubChem CID 5298865) has the molecular formula C22H30BrN3O2 and a molecular weight of 448.41 g/mol. Its IUPAC name is [6-bromo-5-methoxy-1-methyl-2-(piperidin-1-ylmethyl)indol-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[6-bromo-5-methoxy-1-methyl-2-(piperidin-1-ylmethyl)indol-3-yl]-piperidin-1-ylmethanone
PubChem CID5298865
Molecular FormulaC22H30BrN3O2
Molecular Weight448.41 g/mol
Exact Mass447.15
IUPAC Name[6-bromo-5-methoxy-1-methyl-2-(piperidin-1-ylmethyl)indol-3-yl]-piperidin-1-ylmethanone
SMILESCOc1cc2c(C(=O)N3CCCCC3)c(CN3CCCCC3)n(C)c2cc1Br
InChIInChI=1S/C22H30BrN3O2/c1-24-18-14-17(23)20(28-2)13-16(18)21(22(27)26-11-7-4-8-12-26)19(24)15-25-9-5-3-6-10-25/h13-14H,3-12,15H2,1-2H3
InChIKeyGHRMTRQOIFGTFT-UHFFFAOYSA-N
XLogP4.56
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.41
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [6-bromo-5-methoxy-1-methyl-2-(piperidin-1-ylmethyl)indol-3-yl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

ethyl 6-bromo-5-methoxy-1-methyl-2-(pyrrolidin-1-ylmethyl)indole-3-carboxylate
CID 1124516
methyl 6-bromo-2-[(cyclohexylamino)methyl]-5-methoxy-1-methylindole-3-carboxylate;hydrochloride
CID 126478465
6-bromo-5-methoxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylic acid
CID 23875211
ethyl 6-bromo-5-methoxy-1,2-dimethylindole-3-carboxylate
CID 748686
methyl 6-bromo-5-methoxy-1-methyl-2-(morpholin-4-ium-4-ylmethyl)indole-3-carboxylate
CID 7302045
(2-bromo-4,5-dimethoxyphenyl)-piperidin-1-ylmethanone
CID 172646588
ethyl 6-bromo-5-methoxy-1-phenyl-2-(piperazin-1-ylmethyl)indole-3-carboxylate
CID 5300753
ethyl 6-fluoro-5-hydroxy-1-methyl-2-(pyrrolidin-1-ylmethyl)indole-3-carboxylate
CID 143754515
ethyl 5-hydroxy-1-methyl-2-(pyrrolidin-1-ylmethyl)indole-3-carboxylate
CID 71694791
(2-bromo-4-methoxy-1-benzofuran-6-yl)-pyrrolidin-1-ylmethanone
CID 91958137
oxalic acid;1-[(3,4,5-trimethoxyphenyl)methyl]azepane
CID 23724185
(4-bromo-2-methoxyphenyl)-piperidin-1-ylmethanone
CID 78988655

Frequently Asked Questions

What is the IUPAC name of [6-bromo-5-methoxy-1-methyl-2-(piperidin-1-ylmethyl)indol-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [6-bromo-5-methoxy-1-methyl-2-(piperidin-1-ylmethyl)indol-3-yl]-piperidin-1-ylmethanone (CID 5298865) is [6-bromo-5-methoxy-1-methyl-2-(piperidin-1-ylmethyl)indol-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [6-bromo-5-methoxy-1-methyl-2-(piperidin-1-ylmethyl)indol-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [6-bromo-5-methoxy-1-methyl-2-(piperidin-1-ylmethyl)indol-3-yl]-piperidin-1-ylmethanone is COc1cc2c(C(=O)N3CCCCC3)c(CN3CCCCC3)n(C)c2cc1Br.
What is the InChIKey of [6-bromo-5-methoxy-1-methyl-2-(piperidin-1-ylmethyl)indol-3-yl]-piperidin-1-ylmethanone?
The InChIKey is GHRMTRQOIFGTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30BrN3O2/c1-24-18-14-17(23)20(28-2)13-16(18)21(22(27)26-11-7-4-8-12-26)19(24)15-25-9-5-3-6-10-25/h13-14H,3-12,15H2,1-2H3.
What are the key properties of [6-bromo-5-methoxy-1-methyl-2-(piperidin-1-ylmethyl)indol-3-yl]-piperidin-1-ylmethanone?
[6-bromo-5-methoxy-1-methyl-2-(piperidin-1-ylmethyl)indol-3-yl]-piperidin-1-ylmethanone has a molecular weight of 448.41 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-bromo-5-methoxy-1-methyl-2-(piperidin-1-ylmethyl)indol-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 5298865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).