N-[(3-bromophenyl)methyl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]acetamide

C24H26BrN3O3 — CID 50816811

IUPACN-[(3-bromophenyl)methyl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]acetamide
SMILESCOc1ccc2cc(C(=O)N3CCC(CC(=O)NCc4cccc(Br)c4)CC3)[nH]c2c1
InChIInChI=1S/C24H26BrN3O3/c1-31-20-6-5-18-13-22(27-21(18)14-20)24(30)28-9-7-16(8-10-28)12-23(29)26-15-17-3-2-4-19(25)11-17/h2-6,11,13-14,16,27H,7-10,12,15H2,1H3,(H,26,29)
InChIKeyOYWMJBZHWGHWPA-UHFFFAOYSA-N
MW484.39 g/mol
LogP4.50
Rot. Bonds6

About N-[(3-bromophenyl)methyl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]acetamide

N-[(3-bromophenyl)methyl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]acetamide (PubChem CID 50816811) has the molecular formula C24H26BrN3O3 and a molecular weight of 484.39 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]acetamide
PubChem CID50816811
Molecular FormulaC24H26BrN3O3
Molecular Weight484.39 g/mol
Exact Mass483.12
IUPAC NameN-[(3-bromophenyl)methyl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]acetamide
SMILESCOc1ccc2cc(C(=O)N3CCC(CC(=O)NCc4cccc(Br)c4)CC3)[nH]c2c1
InChIInChI=1S/C24H26BrN3O3/c1-31-20-6-5-18-13-22(27-21(18)14-20)24(30)28-9-7-16(8-10-28)12-23(29)26-15-17-3-2-4-19(25)11-17/h2-6,11,13-14,16,27H,7-10,12,15H2,1H3,(H,26,29)
InChIKeyOYWMJBZHWGHWPA-UHFFFAOYSA-N
XLogP4.50
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.39
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3-bromophenyl)methyl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]acetamide
CID 50816995
N-[(2S)-butan-2-yl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]acetamide
CID 93076979
(2S)-N-[(3-bromophenyl)methyl]-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 93076972
(2R)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 92895153
(2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 92503728
(2R)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-propylpropanamide
CID 92503700
N-benzyl-2-[1-(4-methoxybenzoyl)pyrrolidin-3-yl]acetamide
CID 91917759
2-[(3R)-1-(6-methoxy-1H-indole-2-carbonyl)piperidin-3-yl]acetamide
CID 95786376
N-[(3-methoxyphenyl)methyl]-2-piperidin-4-ylacetamide
CID 61028976
(2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-methylbutyl)propanamide
CID 92503706
(6-methoxy-1H-indol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 4909282
6-bromo-N-[(3-bromophenyl)methyl]-1H-indole-2-carboxamide
CID 175535401

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]acetamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]acetamide (CID 50816811) is N-[(3-bromophenyl)methyl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]acetamide is COc1ccc2cc(C(=O)N3CCC(CC(=O)NCc4cccc(Br)c4)CC3)[nH]c2c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]acetamide?
The InChIKey is OYWMJBZHWGHWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26BrN3O3/c1-31-20-6-5-18-13-22(27-21(18)14-20)24(30)28-9-7-16(8-10-28)12-23(29)26-15-17-3-2-4-19(25)11-17/h2-6,11,13-14,16,27H,7-10,12,15H2,1H3,(H,26,29).
What are the key properties of N-[(3-bromophenyl)methyl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]acetamide?
N-[(3-bromophenyl)methyl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]acetamide has a molecular weight of 484.39 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 50816811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).