6-bromo-N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide

C26H30BrN3O2 — CID 25055332

IUPAC6-bromo-N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide
SMILESCC1(C)Cc2cccc(CN3CCC(CNC(=O)c4cc5ccc(Br)cc5[nH]4)CC3)c2O1
InChIInChI=1S/C26H30BrN3O2/c1-26(2)14-19-4-3-5-20(24(19)32-26)16-30-10-8-17(9-11-30)15-28-25(31)23-12-18-6-7-21(27)13-22(18)29-23/h3-7,12-13,17,29H,8-11,14-16H2,1-2H3,(H,28,31)
InChIKeyQNAFUEUURVXYGD-UHFFFAOYSA-N
MW496.45 g/mol
LogP5.29
Rot. Bonds5

About 6-bromo-N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide

6-bromo-N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide (PubChem CID 25055332) has the molecular formula C26H30BrN3O2 and a molecular weight of 496.45 g/mol. Its IUPAC name is 6-bromo-N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide
PubChem CID25055332
Molecular FormulaC26H30BrN3O2
Molecular Weight496.45 g/mol
Exact Mass495.15
IUPAC Name6-bromo-N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide
SMILESCC1(C)Cc2cccc(CN3CCC(CNC(=O)c4cc5ccc(Br)cc5[nH]4)CC3)c2O1
InChIInChI=1S/C26H30BrN3O2/c1-26(2)14-19-4-3-5-20(24(19)32-26)16-30-10-8-17(9-11-30)15-28-25(31)23-12-18-6-7-21(27)13-22(18)29-23/h3-7,12-13,17,29H,8-11,14-16H2,1-2H3,(H,28,31)
InChIKeyQNAFUEUURVXYGD-UHFFFAOYSA-N
XLogP5.29
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.45
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-bromo-N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide with MolForge

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Related Compounds

N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-6-fluoro-1H-indole-2-carboxamide
CID 25055089
N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-1-methylindole-2-carboxamide
CID 25056650
N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 143736405
N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-3-methyl-1-benzofuran-2-carboxamide
CID 69170940
N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]thieno[2,3-b]pyridine-2-carboxamide
CID 25057680
N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 25057950
N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 25054580
N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-2-(5-methylpyrazol-1-yl)acetamide
CID 25056648
N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-4-ethoxy-2,3-dihydro-1H-indole-2-carboxamide
CID 71070796
N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-2-imidazol-1-ylpropanamide
CID 69170478
1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-amine
CID 64509514
(2Z,4E)-2-[[(E)-but-1-enyl]amino]-N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-4-methylhexa-2,4-dienamide
CID 143736411

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-bromo-N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide (CID 25055332) is 6-bromo-N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-bromo-N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide is CC1(C)Cc2cccc(CN3CCC(CNC(=O)c4cc5ccc(Br)cc5[nH]4)CC3)c2O1.
What is the InChIKey of 6-bromo-N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide?
The InChIKey is QNAFUEUURVXYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30BrN3O2/c1-26(2)14-19-4-3-5-20(24(19)32-26)16-30-10-8-17(9-11-30)15-28-25(31)23-12-18-6-7-21(27)13-22(18)29-23/h3-7,12-13,17,29H,8-11,14-16H2,1-2H3,(H,28,31).
What are the key properties of 6-bromo-N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide?
6-bromo-N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide has a molecular weight of 496.45 g/mol, XLogP of 5.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 25055332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).