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

C24H28BrN3O — CID 11539744

IUPACN-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(5-bromo-1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccc(Br)cc12)NCCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H28BrN3O/c25-21-6-7-23-22(15-21)20(16-27-23)14-24(29)26-11-8-18-9-12-28(13-10-18)17-19-4-2-1-3-5-19/h1-7,15-16,18,27H,8-14,17H2,(H,26,29)
InChIKeyZYRSYRWGMJCJBA-UHFFFAOYSA-N
MW454.41 g/mol
LogP4.89
Rot. Bonds7

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

N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(5-bromo-1H-indol-3-yl)acetamide (PubChem CID 11539744) has the molecular formula C24H28BrN3O and a molecular weight of 454.41 g/mol. Its IUPAC name is N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(5-bromo-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(5-bromo-1H-indol-3-yl)acetamide
PubChem CID11539744
Molecular FormulaC24H28BrN3O
Molecular Weight454.41 g/mol
Exact Mass453.14
IUPAC NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(5-bromo-1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccc(Br)cc12)NCCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H28BrN3O/c25-21-6-7-23-22(15-21)20(16-27-23)14-24(29)26-11-8-18-9-12-28(13-10-18)17-19-4-2-1-3-5-19/h1-7,15-16,18,27H,8-14,17H2,(H,26,29)
InChIKeyZYRSYRWGMJCJBA-UHFFFAOYSA-N
XLogP4.89
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.41
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(5-bromo-1H-indol-3-yl)acetamide?
The IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(5-bromo-1H-indol-3-yl)acetamide (CID 11539744) is N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(5-bromo-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(5-bromo-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(5-bromo-1H-indol-3-yl)acetamide is O=C(Cc1c[nH]c2ccc(Br)cc12)NCCC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(5-bromo-1H-indol-3-yl)acetamide?
The InChIKey is ZYRSYRWGMJCJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28BrN3O/c25-21-6-7-23-22(15-21)20(16-27-23)14-24(29)26-11-8-18-9-12-28(13-10-18)17-19-4-2-1-3-5-19/h1-7,15-16,18,27H,8-14,17H2,(H,26,29).
What are the key properties of N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(5-bromo-1H-indol-3-yl)acetamide?
N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(5-bromo-1H-indol-3-yl)acetamide has a molecular weight of 454.41 g/mol, XLogP of 4.89, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(5-bromo-1H-indol-3-yl)acetamide is sourced from PubChem (CID 11539744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).