N-(1-benzylpiperidin-4-yl)-2-(5-bromo-1H-indol-3-yl)acetamide

C22H24BrN3O — CID 10895188

IUPACN-(1-benzylpiperidin-4-yl)-2-(5-bromo-1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccc(Br)cc12)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H24BrN3O/c23-18-6-7-21-20(13-18)17(14-24-21)12-22(27)25-19-8-10-26(11-9-19)15-16-4-2-1-3-5-16/h1-7,13-14,19,24H,8-12,15H2,(H,25,27)
InChIKeyHSNJPOOHNGHKMX-UHFFFAOYSA-N
MW426.36 g/mol
LogP4.25
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-2-(5-bromo-1H-indol-3-yl)acetamide

N-(1-benzylpiperidin-4-yl)-2-(5-bromo-1H-indol-3-yl)acetamide (PubChem CID 10895188) has the molecular formula C22H24BrN3O and a molecular weight of 426.36 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-(5-bromo-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-(5-bromo-1H-indol-3-yl)acetamide
PubChem CID10895188
Molecular FormulaC22H24BrN3O
Molecular Weight426.36 g/mol
Exact Mass425.11
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-(5-bromo-1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccc(Br)cc12)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H24BrN3O/c23-18-6-7-21-20(13-18)17(14-24-21)12-22(27)25-19-8-10-26(11-9-19)15-16-4-2-1-3-5-16/h1-7,13-14,19,24H,8-12,15H2,(H,25,27)
InChIKeyHSNJPOOHNGHKMX-UHFFFAOYSA-N
XLogP4.25
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.36
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(5-bromo-1H-indol-3-yl)acetamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(5-bromo-1H-indol-3-yl)acetamide (CID 10895188) is N-(1-benzylpiperidin-4-yl)-2-(5-bromo-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-(5-bromo-1H-indol-3-yl)acetamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-(5-bromo-1H-indol-3-yl)acetamide is O=C(Cc1c[nH]c2ccc(Br)cc12)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-(5-bromo-1H-indol-3-yl)acetamide?
The InChIKey is HSNJPOOHNGHKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24BrN3O/c23-18-6-7-21-20(13-18)17(14-24-21)12-22(27)25-19-8-10-26(11-9-19)15-16-4-2-1-3-5-16/h1-7,13-14,19,24H,8-12,15H2,(H,25,27).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-(5-bromo-1H-indol-3-yl)acetamide?
N-(1-benzylpiperidin-4-yl)-2-(5-bromo-1H-indol-3-yl)acetamide has a molecular weight of 426.36 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-(5-bromo-1H-indol-3-yl)acetamide is sourced from PubChem (CID 10895188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).